Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 8/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6992667 | 0.78 | CYP19A1 (0.46) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL6996778 | 0.78 | PARP1 (0.54) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1024261 | 0.67 | CYP11B1 (0.84) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL19471985 | 0.67 | CYP19A1 (0.54) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL15399684 | 0.67 | CYP19A1 (0.87) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL79024 | 0.66 | CYP11B1 (0.67) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL11073946 | 0.66 | CYP11B1 (0.67) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| Hydrochloric Acid SCHEMBL1775141 | 0.66 | CYP11B1 (0.81) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL394308 | 0.65 | CYP11B1 (0.83) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL31173984 | 0.64 | CYP19A1 (0.61) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |