Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.55 |
| ▸ | FYN | P06241 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | TOP2A | P11388 | 1/20 | 0.50 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL246185 | 0.86 | ALDH1A1 (0.53) | IKBKBALDH1A1SMN1; SMN2NR3C1POLB | |
| SCHEMBL5262193 | 0.84 | NR3C1 (0.56) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL7902370 | 0.84 | PTGS1 (0.59) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL8867307 | 0.83 | NR3C1 (0.50) | IKBKBALDH1A1SMN1; SMN2NR3C1POLB | |
| SCHEMBL13485212 | 0.82 | KIF11 (0.61) | ALDH1A1SMN1; SMN2FYNABL1HPGD | |
| SCHEMBL14345545 | 0.82 | NR3C1 (0.55) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL29203533 | 0.82 | NR3C1 (0.59) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL2284909 | 0.82 | HTR6 (0.64) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL30240812 | 0.82 | NR3C1 (0.59) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 | |
| SCHEMBL242060 | 0.82 | NR3C1 (0.55) | ALDH1A1SMN1; SMN2NR3C1POLBKEAP1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102348698-B | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS INC | 2015-06-03 | — | — | CN | disclosed |
| CN-102099335-A | Heterocyclic antiviral compounds | HOFFMANN LA ROCHE | 2011-06-15 | — | — | CN | disclosed |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2011-03-24 | — | — | US | disclosed |
| US-7645786-B2 | 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days | PFIZER INC. (US) | 2010-01-12 | — | — | US | disclosed |
| US-20080176865-A1 | SUBSTITUTED ARYLPYRAZOLES | PFIZER LIMITED (GB) | 2008-07-24 | — | — | US | disclosed |
| US-20070149550-A1 | 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days | PFIZER INC. (US) | 2007-06-28 | — | — | US | disclosed |
| US-20070142386-A1 | New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 | ASTRAZENECA (SE) | 2007-06-21 | — | — | US | disclosed |
| EP-1675862-A1 | NEW 2-SUBSTITUTED, 4-AMINO-THIAZOLO 4,5-D PYRIMIDINES, USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS, ESP. CX3CR1 | AstraZeneca AB (SE) | 2006-07-05 | — | — | EP | disclosed |
| US-7053057-B2 | A carbamate and amide compound containing piperidine, tetrahydroquinoline or tetrahydroisoquinoline ring; enzyme inhibitor | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-05-30 | — | — | US | disclosed |
| WO-2005033115-A1 | NEW 2-SUBSTITUTED, 4-AMINO-THIAZOLO[4,5-D] PYRIMIDINES, USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS, ESP. CX3CR1 | ASTRAZENECA AB (SE) | 2005-04-14 | — | — | WO | disclosed |
| WO-2005025557-A1 | AN AGENT FOR PLASMINOGEN-ACTIVATION AND MATRIX METALLOPROTEINASE ASSOCIATED CONDITIONS AND METHODS OF USE | MONASH UNIVERSITY (AU) | 2005-03-24 | — | — | WO | disclosed |
| EP-1283827-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-02-19 | — | — | EP | disclosed |
| US-20020061853-A1 | Caspase inhibtors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2002-05-23 | — | — | US | disclosed |
| WO-2001090070-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-11-29 | — | — | WO | 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 (5 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-20070142386-A1 | New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1 | CX3CR1, CCR2, CXCR4 | IKBKB 3354/4885ALDH1A1 3396/4885SMN1; SMN2 1298/4885 |
| US-20080176865-A1 | SUBSTITUTED ARYLPYRAZOLES | CYP3A4, CYP3A43, CYP4B1 | IKBKB 1947/4885ALDH1A1 565/4885SMN1; SMN2 2801/4885 |
| US-20070149550-A1 | 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days | CYP3A43, CYP3A4, CYP2F1 | IKBKB 2126/4885ALDH1A1 559/4885SMN1; SMN2 1163/4885 |
| US-20020061853-A1 | Caspase inhibtors and uses thereof | CASP2, CASP1, CASP3 | IKBKB 277/4885ALDH1A1 1328/4885SMN1; SMN2 3765/4885 |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | IKBKB 317/4885ALDH1A1 2962/4885SMN1; SMN2 797/4885 |
“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.