Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 11/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27983187 | 0.81 | CYP17A1 (0.51) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL4240437 | 0.81 | CYP17A1 (0.51) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL28147170 | 0.80 | — | — | |
| SCHEMBL7737006 | 0.79 | CYP17A1 (0.39) | CYP17A1CYP19A1 | |
| SCHEMBL17414701 | 0.79 | CYP17A1 (0.50) | CYP17A1TBXAS1CYP19A1 | |
| SCHEMBL4956815 | 0.79 | CYP17A1 (0.50) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL2385238 | 0.79 | CYP17A1 (0.50) | CYP17A1TBXAS1CYP19A1 | |
| Hydrochloric Acid SCHEMBL29139305 | 0.78 | CYP17A1 (0.49) | CYP17A1TBXAS1CYP19A1 | |
| SCHEMBL10974611 | 0.78 | CYP17A1 (0.49) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL6060901 | 0.78 | CYP17A1 (0.49) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001524079-A | — | — | 2001-11-27 | — | — | JP | claimed |
| EP-0973396-A4 | A METHOD OF TREATING CANCER | MERCK & CO INC (US) | 2001-02-07 | — | — | EP | claimed |
| EP-0973396-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 2000-01-26 | — | — | EP | claimed |
| WO-1998044797-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1998-10-15 | — | — | WO | claimed |
| CN-1688553-A | Chemical process | SMITHKLINE BEECHAM CORP (US) | 2005-10-26 | — | — | CN | disclosed |