Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CPN1 | P15169 | 2/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 10/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 9/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1919199 | 0.89 | CYP2D6 (0.50) | CYP2D6CPN1CPB2 | |
| SCHEMBL1255171 | 0.87 | CYP2D6 (0.56) | CYP2D6 | |
| SCHEMBL2311532 | 0.73 | CPN1 (0.39) | CPN1CPB2 | |
| SCHEMBL3618174 | 0.73 | CPN1 (0.36) | CPN1CPB2PPARAPPARG | |
| SCHEMBL30222646 | 0.73 | TSHR (0.38) | CPN1CPB2PPARA | |
| SCHEMBL3531187 | 0.73 | KDM4E (0.33) | CPN1CPB2 | |
| SCHEMBL9345561 | 0.72 | KDM4E (0.49) | PPARAPPARG | |
| SCHEMBL8298173 | 0.72 | PPARA (0.53) | PPARAPPARG | |
| SCHEMBL4950111 | 0.72 | CYP2D6 (0.55) | CYP2D6 | |
| SCHEMBL3541161 | 0.70 | ACE (0.38) | CYP2D6CPN1CPB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017393-A4 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-01-23 | — | — | EP | disclosed |
| EP-1017393-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-07-12 | — | — | EP | disclosed |
| US-6011038-A | Pyrazinone thrombin inhibitors | MERCK & CO., INC. (US) | 2000-01-04 | — | — | US | disclosed |
| WO-1999011267-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1999-03-11 | — | — | WO | disclosed |