Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 6/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 5/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | SCN5A | Q14524 | 4/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.58 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.58 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.58 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7348370 | 0.95 | CYP2C9 (0.54) | CYP2C9CYP1A2CYP3A4CYP2C19ABCB11 | |
| SCHEMBL7340283 | 0.81 | CYP2C9 (0.47) | CYP2C9CYP1A2CYP3A4CYP2C19ABCB11 | |
| SCHEMBL7340826 | 0.81 | CACNA1C (0.51) | CYP2C9CYP1A2CYP3A4CYP2C19ABCB11 | |
| SCHEMBL4801736 | 0.80 | CYP2C9 (0.85) | CYP2C9CYP1A2CYP3A4CYP2C19ABCB11 | |
| SCHEMBL10914306 | 0.80 | CYP2C9 (0.46) | CYP2C9CYP1A2CYP3A4CYP2C19ABCB11 | |
| SCHEMBL10914016 | 0.79 | GAA (0.47) | CYP2C9CYP1A2CYP3A4CYP2C19ABCB11 | |
| SCHEMBL10913383 | 0.79 | GAA (0.47) | CYP2C9CYP1A2CYP3A4CYP2C19ABCB11 | |
| SCHEMBL7340281 | 0.79 | CYP2C9 (0.50) | CYP2C9CYP1A2CYP3A4CYP2C19ABCB11 | |
| SCHEMBL10915270 | 0.78 | KDM4E (0.45) | CYP2C9CYP1A2CYP3A4CYP2C19ABCB11 | |
| SCHEMBL10913448 | 0.76 | KMT2A (0.36) | CYP2C9CYP1A2CYP3A4CYP2C19ABCB11 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4797404-A | TREATMENT OF MIGRAINES OR HYPERTENSION | SANDOZ LTD. (CH) | 1989-01-10 | — | — | US | claimed |
| US-4510150-A | 4-(2,1,3-BENZ-OXA-OR-THIA-DIAZOLYL)-1,4-DIHYDROPYRIDINES AND A BETA-BLOCKER | SANDOZ LTD. (CH) | 1985-04-09 | — | — | US | claimed |
| US-4466972-A | HYPOTENSIVE, ANTIISCHEMIC, ANTISPASMODIC AGENTS | SANDOZ LTD. (CH) | 1984-08-21 | — | — | US | claimed |
| US-4442112-A | MIGRAINE AND CLUSTER | SANDOZ LTD. (CH) | 1984-04-10 | — | — | US | claimed |
| US-5260321-A | Cardiovascular disorders | SANDOZ LTD. (CH) | 1993-11-09 | — | — | US | disclosed |
| EP-0202282-A1 | NEW USE OF 1,4-DIHYDROPYRIDINE DERIVATIVES. | SANDOZ AG (CH) | 1986-11-26 | — | — | EP | disclosed |
| WO-1986002836-A1 | NEW USE OF 1,4-DIHYDROPYRIDINE DERIVATIVES AND COMBINATIONS THEREOF WITH CALCITONINS | SANDOZ AG (CH) | 1986-05-22 | — | — | WO | disclosed |
| US-4442112-A | MIGRAINE AND CLUSTER | SANDOZ LTD. (CH) | 1984-04-10 | — | — | US | disclosed |