Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | BAD | Q92934 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29576506 | 0.85 | PNMT (0.44) | CYP2A6MAOAMAOBCES1SRD5A2 | |
| SCHEMBL3396448 | 0.81 | TSHR (0.44) | CYP2A6MAOAMAOBCES1SRD5A2 | |
| SCHEMBL23704623 | 0.79 | PNMT (0.43) | CYP2A6MAOAMAOBCES1SRD5A2 | |
| SCHEMBL3103992 | 0.78 | CYP2A6 (0.68) | CYP2A6MAOAMAOBCES1BCHE | |
| SCHEMBL30505637 | 0.78 | CYP2A6 (0.68) | CYP2A6MAOAMAOBCES1BCHE | |
| SCHEMBL17698887 | 0.77 | BCL2L1 (0.54) | CYP2A6MAOAMAOBCES1BCHE | |
| SCHEMBL29488244 | 0.77 | BCL2L1 (0.54) | CYP2A6MAOAMAOBCES1BCHE | |
| SCHEMBL9652088 | 0.76 | CYP2A6 (0.65) | CYP2A6MAOAMAOBCES1BCHE | |
| SCHEMBL30436320 | 0.76 | CYP2A6 (0.65) | CYP2A6MAOAMAOBCES1BCHE | |
| SCHEMBL8460056 | 0.74 | CES1 (0.54) | CYP2A6MAOAMAOBCES1AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5480913-A | DIHYDRO-PHENANTHRENE DERIVATIVES, SIDE EFFECT REDUCTION | ARCH DEVELOPMENT CORPORATION (US) | 1996-01-02 | — | — | US | disclosed |
| EP-0363128-B1 | ANTI-ANDROGEN COMPOUNDS | ARCH DEVELOPMENT CORPORATION (US) | 1993-09-01 | — | — | EP | disclosed |
| US-5208263-A | Dihydrophenanthrene derivatives | ARCH DEVELOPMENT CORPORATION (US) | 1993-05-04 | — | — | US | disclosed |
| WO-1990003979-A2 | ANTI-ANDROGEN COMPOUNDS | ARCH DEVELOPMENT CORPORATION (US) | 1990-04-19 | — | — | WO | disclosed |
| EP-0363128-A2 | Anti-androgen compounds | ARCH DEVELOPMENT CORPORATION (US) | 1990-04-11 | — | — | EP | disclosed |