Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.62 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | CNR2 | P34972 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | THRA | P10827 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11673108 | 0.86 | CYP2C19 (0.64) | CYP2C19L3MBTL1ABCG2CNR2ALDH1A1 | |
| SCHEMBL11673526 | 0.85 | L3MBTL1 (0.59) | CYP2C19L3MBTL1ABCG2ATMCNR2 | |
| SCHEMBL11673907 | 0.85 | L3MBTL1 (0.62) | CYP2C19L3MBTL1ABCG2ATMCNR2 | |
| SCHEMBL11729168 | 0.84 | L3MBTL1 (0.58) | CYP2C19L3MBTL1ATMCNR2CNR1 | |
| SCHEMBL11672853 | 0.81 | L3MBTL1 (0.56) | CYP2C19L3MBTL1ATMCNR2ALDH1A1 | |
| SCHEMBL11734542 | 0.81 | APP (0.68) | CYP2C19L3MBTL1CNR2CNR1 | |
| SCHEMBL11673920 | 0.81 | L3MBTL1 (0.92) | CYP2C19L3MBTL1ATMCNR2NPC1 | |
| SCHEMBL11673894 | 0.80 | L3MBTL1 (0.69) | CYP2C19L3MBTL1ATMCNR2ALDH1A1 | |
| SCHEMBL1287556 | 0.80 | CYP2C19 (1.00) | CYP2C19ABCG2ALDH1A1HPGDTSHR | |
| SCHEMBL11672383 | 0.80 | APP (0.67) | CYP2C19ATMCNR2ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4024273-A | Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity | SMITHKLINE CORPORATION (US) | 1977-05-17 | — | — | US | disclosed |
| US-3947470-A | CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS | SMITHKLINE CORPORATION (US) | 1976-03-30 | — | — | US | disclosed |