Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 5/20 | 0.56 |
| ▸ | CNR2 | P34972 | 4/20 | 0.56 |
| ▸ | ACHE | P22303 | 4/20 | 0.56 |
| ▸ | SIRT3 | Q9NTG7 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | KDM5A | P29375 | 2/20 | 0.53 |
| ▸ | KDM7A | Q6ZMT4 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | SCN1A | P35498 | 2/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.53 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.53 |
| ▸ | MLNR | O43193 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11673860 | 0.94 | APP (0.57) | APPBCHECNR2ACHESIRT3 | |
| SCHEMBL11673495 | 0.93 | APP (0.56) | APPBCHECNR2ACHESIRT3 | |
| SCHEMBL11672907 | 0.93 | APP (0.66) | APPBCHECNR2ACHESIRT3 | |
| SCHEMBL11673106 | 0.92 | APP (0.55) | APPBCHECNR2ACHESIRT3 | |
| SCHEMBL11673533 | 0.92 | APP (0.55) | APPBCHECNR2ACHESIRT3 | |
| SCHEMBL11673388 | 0.89 | APP (0.66) | APPBCHECNR2ACHESIRT3 | |
| SCHEMBL11730560 | 0.89 | SIRT3 (0.56) | APPBCHECNR2ACHESIRT3 | |
| Etabenzarone SCHEMBL2108676 | 0.88 | APP (0.63) | APPBCHECNR2ACHESIRT3 | |
| SCHEMBL11674272 | 0.88 | APP (0.61) | APPBCHECNR2ACHESIRT3 | |
| SCHEMBL11845076 | 0.86 | CYP2C9 (0.60) | BCHECNR2ACHESIRT3ALDH1A1 |
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 |