Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.62 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.56 |
| ▸ | BCHE | P06276 | 10/20 | 0.53 |
| ▸ | ACHE | P22303 | 6/20 | 0.53 |
| ▸ | CNR2 | P34972 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | MLNR | O43193 | 1/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.51 |
| ▸ | PHF2 | O75151 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | FYN | P06241 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11673385 | 0.93 | APP (0.62) | APPSIRT3BCHEACHECNR2 | |
| SCHEMBL11673204 | 0.90 | APP (0.64) | APPSIRT3BCHEACHECNR2 | |
| SCHEMBL11672383 | 0.89 | APP (0.67) | APPSIRT3BCHEACHECNR2 | |
| SCHEMBL11673784 | 0.89 | APP (0.65) | APPSIRT3BCHEACHECNR2 | |
| SCHEMBL11673128 | 0.86 | APP (0.61) | APPSIRT3BCHEACHECNR2 | |
| SCHEMBL11671924 | 0.84 | APP (0.64) | APPBCHEACHECNR2CNR1 | |
| SCHEMBL11673163 | 0.84 | APP (0.61) | APPSIRT3BCHEACHECNR2 | |
| SCHEMBL11672542 | 0.83 | APP (0.87) | APPBCHEACHECNR2CNR1 | |
| SCHEMBL11672311 | 0.83 | APP (0.68) | APPSIRT3BCHEACHECNR2 | |
| SCHEMBL11672322 | 0.83 | BCHE (0.71) | APPBCHEACHECNR2CNR1 |
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 |