Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | TTR | P02766 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.52 |
| ▸ | TXNRD3 | Q86VQ6 | 2/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11641367 | 0.85 | ALDH1A1 (0.63) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL9559771 | 0.80 | ALDH1A1 (0.43) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL2822069 | 0.79 | ALDH1A1 (0.58) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL8686866 | 0.77 | ALDH1A1 (0.56) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL4076110 | 0.77 | ALDH1A1 (0.56) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL2226938 | 0.76 | ALDH1A1 (0.52) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| SCHEMBL231026 | 0.75 | ALDH1A1 (0.54) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL5908862 | 0.75 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL337039 | 0.75 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL9140808 | 0.75 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 41 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8026248-B2 | 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2011-09-27 | — | — | US | claimed |
| EP-1245567-B1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-02 | — | — | EP | claimed |
| US-20050197354-A1 | 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS | ANDRIES KOENRAAD JOZEF L M (BE) | 2005-09-08 | — | — | US | claimed |
| US-20050192305-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF L M (BE) | 2005-09-01 | — | — | US | claimed |
| EP-0945443-B9 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-08-13 | — | — | EP | claimed |
| US-20030083317-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2003-05-01 | — | — | US | claimed |
| EP-0945443-B1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-02-12 | — | — | EP | claimed |
| EP-1245567-A1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-10-02 | — | — | EP | claimed |
| US-6440986-B2 | VIRICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2002-08-27 | — | — | US | claimed |
| US-20010011094-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2001-08-02 | — | — | US | claimed |
| WO-1999050250-A1 | HIV INHIBITING PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-10-07 | — | — | WO | claimed |
| EP-0945443-A1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-09-29 | — | — | EP | claimed |
| EP-0287329-B1 | Chromogenic cryptahemispherands useful in detecting electrolytes | MILES INC (US) | 1993-12-08 | — | — | EP | claimed |
| US-5177221-A | Chromogenic hemispherands and their preparation | MILES INC. (US) | 1993-01-05 | — | — | US | claimed |
| US-5011924-A | Measurement Of Ions | TECHNICON INSTRUMENTS CORPORATION (US) | 1991-04-30 | — | — | US | claimed |
| US-4992381-A | Method of detecting electrolytes in an aqueous test sample using chromogenic hemispherands and test device therefor | TECHNICON INSTRUMENTS CORPORATION (US) | 1991-02-12 | — | — | US | claimed |
| US-4859606-A | Method for detecting cations in a test sample utilizing chromogenic cryptahemispherands | TECHNICON INSTRUMENTS CORPORATION (US) | 1989-08-22 | — | — | US | claimed |
| EP-0287330-A2 | Chromogenic hemispherands useful for detecting electrolytes | Bayer Corporation (US) | 1988-10-19 | — | — | EP | claimed |
| EP-0287329-A2 | Chromogenic cryptahemispherands useful in detecting electrolytes | Bayer Corporation (US) | 1988-10-19 | — | — | EP | claimed |
| US-8026248-B2 | 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2011-09-27 | — | — | US | disclosed |
| EP-1245567-B1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-02 | — | — | EP | disclosed |
| US-20050197354-A1 | 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS | ANDRIES KOENRAAD JOZEF L M (BE) | 2005-09-08 | — | — | US | disclosed |
| US-20050192305-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF L M (BE) | 2005-09-01 | — | — | US | disclosed |
| US-6903213-B2 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2005-06-07 | — | — | US | disclosed |
| EP-0945443-B9 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-08-13 | — | — | EP | disclosed |
| US-20030083317-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2003-05-01 | — | — | US | disclosed |
| EP-0945443-B1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-02-12 | — | — | EP | disclosed |
| EP-1245567-A1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-10-02 | — | — | EP | disclosed |
| US-6440986-B2 | VIRICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2002-08-27 | — | — | US | disclosed |
| US-20010011094-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2001-08-02 | — | — | US | disclosed |
| US-6197779-B1 | VIRICIDE | JANSSEN PHARMACEUTICA, INC. | 2001-03-06 | — | — | US | disclosed |
| WO-1999050250-A1 | HIV INHIBITING PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-10-07 | — | — | WO | disclosed |
| EP-0945443-A1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-09-29 | — | — | EP | disclosed |
| US-5460669-A | 3-nitramino-4-nitrofurazan and salts thereof | THIOKOL CORPORATION (US) | 1995-10-24 | — | — | US | disclosed |
| EP-0287329-B1 | Chromogenic cryptahemispherands useful in detecting electrolytes | MILES INC (US) | 1993-12-08 | — | — | EP | disclosed |
| US-5177221-A | Chromogenic hemispherands and their preparation | MILES INC. (US) | 1993-01-05 | — | — | US | disclosed |
| US-5011924-A | Measurement Of Ions | TECHNICON INSTRUMENTS CORPORATION (US) | 1991-04-30 | — | — | US | disclosed |
| US-4992381-A | Method of detecting electrolytes in an aqueous test sample using chromogenic hemispherands and test device therefor | TECHNICON INSTRUMENTS CORPORATION (US) | 1991-02-12 | — | — | US | disclosed |
| US-4859606-A | Method for detecting cations in a test sample utilizing chromogenic cryptahemispherands | TECHNICON INSTRUMENTS CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| EP-0287330-A2 | Chromogenic hemispherands useful for detecting electrolytes | Bayer Corporation (US) | 1988-10-19 | — | — | EP | disclosed |
| EP-0287330-A2 | Chromogenic hemispherands useful for detecting electrolytes | Bayer Corporation (US) | 1988-10-19 | — | — | EP | disclosed |
| EP-0287329-A2 | Chromogenic cryptahemispherands useful in detecting electrolytes | Bayer Corporation (US) | 1988-10-19 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030083317-A1 | HIV inhibiting pyrimidine derivatives | CBR1, CCR1, CXCR1 | ALDH1A1 818/4885GPR35 3296/4885TDP1 1286/4885 |
| US-20050192305-A1 | HIV inhibiting pyrimidine derivatives | NR4A1, CCR5, NR4A3 | ALDH1A1 1763/4885GPR35 1635/4885TDP1 4408/4885 |
| US-20010011094-A1 | HIV inhibiting pyrimidine derivatives | CBR1, CCR1, NR4A1 | ALDH1A1 836/4885GPR35 3457/4885TDP1 1354/4885 |
| US-20050197354-A1 | 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS | HAVCR2, CBR1, NR4A1 | ALDH1A1 2296/4885GPR35 2315/4885TDP1 4107/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.