Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 10/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 8/20 | 0.51 |
| ▸ | CACNA1D | Q01668 | 8/20 | 0.51 |
| ▸ | CACNA1S | Q13698 | 8/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.50 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | PGR | P06401 | 2/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | SCN1A | P35498 | 2/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7340281 | 0.87 | CYP2C9 (0.50) | CACNA1CCYP1A2NR1I2ABCB11NR3C1 | |
| SCHEMBL7340283 | 0.86 | CYP2C9 (0.47) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL7349734 | 0.84 | CACNA1C (0.67) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL10914306 | 0.84 | CYP2C9 (0.46) | CACNA1CCYP1A2NR1I2ABCB11NR3C1 | |
| SCHEMBL10915270 | 0.84 | KDM4E (0.45) | CACNA1CCYP1A2NR1I2ABCB11NR3C1 | |
| SCHEMBL10914016 | 0.84 | GAA (0.47) | CACNA1CCYP1A2NR1I2ABCB11NR3C1 | |
| SCHEMBL10913383 | 0.84 | GAA (0.47) | CACNA1CCYP1A2NR1I2ABCB11NR3C1 | |
| SCHEMBL7348362 | 0.81 | CYP2C9 (0.58) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL7344941 | 0.79 | CACNA1C (0.76) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL11060276 | 0.78 | ALDH1A1 (0.44) | CACNA1DCYP1A2NR1I2ABCB11NR3C1 |
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 1 patent. 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 |