Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 3/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 3/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2177262 | 0.86 | CYP17A1 (0.80) | CYP17A1CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL14211404 | 0.85 | CYP17A1 (0.74) | CYP17A1CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL14211410 | 0.82 | CYP17A1 (0.70) | CYP17A1CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL2177796 | 0.80 | CYP17A1 (1.00) | CYP17A1CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL9895663 | 0.79 | CYP17A1 (0.65) | CYP17A1CYP2C9CYP2C19CYP1A2CYP19A1 | |
| SCHEMBL12500160 | 0.76 | CYP17A1 (1.00) | CYP17A1CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL25627482 | 0.69 | CYP1A2 (0.57) | CYP17A1CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL12498465 | 0.69 | CYP1A2 (0.53) | CYP17A1CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL14211394 | 0.68 | CYP19A1 (0.68) | CYP17A1CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL9895460 | 0.67 | CYP2C9 (0.50) | CYP17A1CYP2C9CYP2C19CYP1A2AKR1C3 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8987315-B2 | Metalloenzyme inhibitor compounds | INNOCRIN PHARMACEUTICALS, INC. (US) | 2015-03-24 | — | — | US | claimed |
| EP-2519508-B1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS INC (US) | 2014-07-02 | — | — | EP | claimed |
| US-20120309800-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-12-06 | — | — | US | claimed |
| EP-2519508-A2 | METALLOENZYME INHIBITOR COMPOUNDS | Viamet Pharmaceuticals, Inc. (US) | 2012-11-07 | — | — | EP | claimed |
| WO-2011082245-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2011-07-07 | — | — | WO | claimed |
| US-8987315-B2 | Metalloenzyme inhibitor compounds | INNOCRIN PHARMACEUTICALS, INC. (US) | 2015-03-24 | — | — | US | disclosed |
| US-8987315-B2 | Metalloenzyme inhibitor compounds | INNOCRIN PHARMACEUTICALS, INC. (US) | 2015-03-24 | — | — | US | disclosed |
| US-8987315-B2 | Metalloenzyme inhibitor compounds | INNOCRIN PHARMACEUTICALS, INC. (US) | 2015-03-24 | — | — | US | disclosed |
| EP-2519508-B1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS INC (US) | 2014-07-02 | — | — | EP | disclosed |
| EP-2519508-B1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS INC (US) | 2014-07-02 | — | — | EP | disclosed |
| US-20120309800-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-12-06 | — | — | US | disclosed |
| US-20120309800-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-12-06 | — | — | US | disclosed |
| US-20120309800-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-12-06 | — | — | US | disclosed |
| EP-2519508-A2 | METALLOENZYME INHIBITOR COMPOUNDS | Viamet Pharmaceuticals, Inc. (US) | 2012-11-07 | — | — | EP | disclosed |
| WO-2011082245-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2011-07-07 | — | — | WO | disclosed |
| WO-2011082245-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2011-07-07 | — | — | 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 (1 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-20120309800-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | CYP17A1 649/4885CYP2C9 840/4885CYP2C19 691/4885 |
“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.