Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 10/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.76 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.76 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.76 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.76 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.76 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.76 |
| ▸ | MEN1 | O00255 | 3/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.76 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.76 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.76 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.76 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.76 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.76 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL7349734 | 0.94 | CACNA1C (0.67) | CACNA1CCYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL7343428 | 0.91 | CYP2C9 (0.77) | CACNA1CCYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL4801736 | 0.89 | CYP2C9 (0.85) | CACNA1CCYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL7341259 | 0.88 | CYP2C9 (0.73) | CACNA1CCYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL7350650 | 0.87 | CYP2C9 (0.75) | CACNA1CCYP1A2CYP2C9CYP3A4CYP2C19 | |
| Nisoldipine SCHEMBL6716326 | 0.87 | CACNA1C (0.71) | CACNA1CCYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL9674472 | 0.87 | CYP2C9 (0.71) | CACNA1CCYP1A2CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL10746377 | 0.87 | CYP2C9 (0.71) | CACNA1CCYP1A2CYP2C9CYP3A4CYP2C19 | |
| (R)-Isradipine SCHEMBL34556 | 0.87 | CYP2C9 (1.00) | CACNA1CCYP1A2CYP2C9CYP3A4CYP2C19 | |
| Isradipine SCHEMBL1172992 | 0.87 | CYP2C9 (1.00) | CACNA1CCYP1A2CYP2C9CYP3A4CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4466972-A | HYPOTENSIVE, ANTIISCHEMIC, ANTISPASMODIC AGENTS | SANDOZ LTD. (CH) | 1984-08-21 | — | — | US | claimed |
| US-4567271-A | CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS, ANTISPASMODIC AGENTS | SANDOZ LTD. (CH) | 1986-01-28 | — | — | US | disclosed |
| US-4466972-A | HYPOTENSIVE, ANTIISCHEMIC, ANTISPASMODIC AGENTS | SANDOZ LTD. (CH) | 1984-08-21 | — | — | US | disclosed |