Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8963440 | 0.99 | CYP2C19 (0.44) | CYP3A4CYP2C9CYP2C19CACNA2D1CACNA1B | |
| SCHEMBL8963887 | 0.89 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19CACNA2D1CACNA1B | |
| SCHEMBL8963751 | 0.88 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CACNA2D1CACNA1B | |
| Hydrochloric Acid SCHEMBL9665010 | 0.82 | CYP2D6 (0.40) | CYP3A4CYP2C9CYP2C19OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL8963536 | 0.82 | CYP2D6 (0.40) | CYP3A4CYP2C9CYP2C19OPRM1OPRD1 | |
| SCHEMBL8963825 | 0.81 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CACNA2D1CACNA1B | |
| SCHEMBL8963725 | 0.80 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CACNA2D1CACNA1B | |
| Hydrochloric Acid SCHEMBL9424732 | 0.77 | CYP2D6 (0.49) | CYP3A4CYP2C19CACNA2D1CACNA1BCACNB1 | |
| Lifarizine SCHEMBL14809613 | 0.77 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19CACNA2D1CACNA1B | |
| Lifarizine SCHEMBL94691 | 0.77 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19CACNA2D1CACNA1B |
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-5514800-A | CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1996-05-07 | — | — | US | disclosed |
| US-5276034-A | Cardiovascular disorders, nervous system disorders, diuretics, antiischemic agents or antispasmodic agents | SYNTEX PHARMACEUTICAL LTD. (GB) | 1994-01-04 | — | — | US | disclosed |
| US-5043447-A | Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1991-08-27 | — | — | US | disclosed |