Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22576437 | 0.77 | CYP2C19 (0.38) | CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL13464472 | 0.77 | CYP1A2 (0.51) | CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL11412763 | 0.76 | CYP2C19 (0.42) | CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL4133609 | 0.73 | CYP2C19 (0.35) | CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL27634421 | 0.72 | PSEN1 (0.31) | — | |
| SCHEMBL1055977 | 0.71 | — | — | |
| SCHEMBL1812100 | 0.71 | CYP2C19 (0.56) | CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL13464557 | 0.70 | CYP1A2 (0.43) | CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL265530 | 0.69 | CYP2C19 (0.60) | CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL9640977 | 0.69 | CYP2C19 (0.60) | CYP2C19CYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6017916-A | Nonpeptide endothelin antagonists I | WARNER-LAMBERT COMPANY (US) | 2000-01-25 | — | — | US | disclosed |
| US-5691373-A | TREATING SUBARACHNOID HEMORRHAGE | WARNER-LAMBERT COMPANY (US) | 1997-11-25 | — | — | US | disclosed |
| EP-0714391-A1 | SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005376-A1 | SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1995-02-23 | — | — | WO | disclosed |