Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK9 | Q9NPC2 | 7/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 6/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7546954 | 0.93 | KCNK3 (0.52) | KCNK9KCNK3SIRT1KMT2APOLB | |
| SCHEMBL7546427 | 0.90 | KCNK3 (0.55) | KCNK3KMT2ARAB9AMEN1NPC1 | |
| SCHEMBL7602105 | 0.90 | MEN1 (0.46) | SIRT1KMT2APOLBRAB9AMEN1 | |
| SCHEMBL7554184 | 0.89 | KCNK3 (0.53) | KCNK9KCNK3SIRT1KMT2APOLB | |
| SCHEMBL7564962 | 0.89 | KMT2A (0.45) | KMT2APOLBRAB9AMEN1NPC1 | |
| SCHEMBL7602610 | 0.86 | KDR (0.52) | KCNK9KCNK3RAB9ANPC1HCRTR1 | |
| SCHEMBL7568397 | 0.86 | KCNK3 (0.50) | KCNK9KCNK3KMT2APOLBRAB9A | |
| SCHEMBL7539733 | 0.86 | BACE1 (0.50) | KCNK9KCNK3KMT2APOLBRAB9A | |
| SCHEMBL7601440 | 0.85 | KMT2A (0.42) | KMT2APOLBMEN1 | |
| SCHEMBL7565056 | 0.85 | CA12 (0.47) | KMT2APOLBRAB9AMEN1NPC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101715442-B | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME | 2014-03-26 | — | — | CN | disclosed |
| US-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-11-01 | — | — | US | disclosed |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-09-13 | — | — | US | disclosed |
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | US | disclosed |
| US-7763609-B2 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION (US) | 2010-07-27 | — | — | US | disclosed |
| US-7763609-B2 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION (US) | 2010-07-27 | — | — | US | disclosed |
| CN-101715442-A | Heterocyclic aspartyl protease inhibitors | SCHERING CORP | 2010-05-26 | — | — | CN | disclosed |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. | 2008-08-21 | — | — | US | disclosed |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. | 2008-08-21 | — | — | US | 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-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | KCNK9 4162/4885KCNK3 4419/4885SIRT1 2094/4885 |
| US-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | KCNK9 3964/4885KCNK3 4246/4885SIRT1 1742/4885 |
| US-20080200445-A1 | Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example | CTSZ, CTSL, PRSS1 | KCNK9 4369/4885KCNK3 4539/4885SIRT1 3710/4885 |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | KCNK9 3964/4885KCNK3 4246/4885SIRT1 1742/4885 |
“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.