Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 5/20 | 0.79 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.56 |
| ▸ | NAMPT | P43490 | 1/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.54 |
| ▸ | BCL2 | P10415 | 2/20 | 0.51 |
| ▸ | BECN1 | Q14457 | 1/20 | 0.51 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.48 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL334709 | 0.90 | CYP17A1 (0.68) | CYP17A1PSMB8NAMPTMAP4K4BCL2 | |
| SCHEMBL20865536 | 0.90 | CYP17A1 (0.68) | CYP17A1PSMB8NAMPTMAP4K4CD274 | |
| SCHEMBL30125128 | 0.89 | CYP17A1 (1.00) | CYP17A1PSMB8NAMPT | |
| SCHEMBL11966097 | 0.88 | CYP17A1 (0.75) | CYP17A1PSMB8NAMPTMAP4K4BCL2 | |
| SCHEMBL23637726 | 0.84 | CYP17A1 (0.63) | CYP17A1PSMB8NAMPT | |
| SCHEMBL6815524 | 0.84 | NAMPT (0.71) | CYP17A1NAMPT | |
| SCHEMBL13055402 | 0.84 | CYP17A1 (0.59) | CYP17A1PSMB8NAMPTMAP4K4 | |
| SCHEMBL6164499 | 0.84 | NAMPT (0.67) | CYP17A1PSMB8NAMPTMAP4K4BCL2 | |
| SCHEMBL31671045 | 0.84 | CYP17A1 (0.76) | CYP17A1NAMPTMAP4K4HDAC3HDAC1 | |
| SCHEMBL26666910 | 0.84 | CYP17A1 (0.76) | CYP17A1NAMPTMAP4K4HDAC3HDAC1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9808447-B2 | Inhibitors of Rho associated protein kinases (ROCK) and methods of use | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2017-11-07 | — | — | US | disclosed |
| US-20170049760-A1 | INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. | 2017-02-23 | — | — | US | disclosed |
| US-9409868-B2 | Inhibitors of rho associated protein kinases (ROCK) and methods of use | H. Lee Moffin Cancer Center and Research Institute, Inc. (US) | 2016-08-09 | — | — | US | disclosed |
| US-20140336440-A1 | INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. | 2014-11-13 | — | — | US | disclosed |
| WO-2013112722-A1 | INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2013-08-01 | — | — | WO | disclosed |
| EP-1877401-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | Elan Pharmaceuticals Inc. (US) | 2008-01-16 | — | — | EP | disclosed |
| US-20070032475-A1 | Novel compounds useful for bradykinin B1 receptor antagonism | ELAN PHARMACEUTICALS, INC. | 2007-02-08 | — | — | US | disclosed |
| WO-2006113140-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | ELAN PHARMACEUTICALS, INC. (US) | 2006-10-26 | — | — | 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 (3 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-20140336440-A1 | INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE | ROCK1, ROCK2, CIT | CYP17A1 3010/4885PSMB8 4151/4885NAMPT 1998/4885 |
| US-20170049760-A1 | INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE | ROCK1, ROCK2, CIT | CYP17A1 3010/4885PSMB8 4151/4885NAMPT 1998/4885 |
| US-20070032475-A1 | Novel compounds useful for bradykinin B1 receptor antagonism | BDKRB1, BDKRB2, NPBWR1 | CYP17A1 3148/4885PSMB8 3058/4885NAMPT 1523/4885 |
“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.