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 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8963751 | 0.92 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19SLC6A9CACNA2D1 | |
| SCHEMBL8963681 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CACNA1GOPRM1 | |
| Hydrochloric Acid SCHEMBL8963608 | 0.80 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19SLC6A9CACNA2D1 | |
| SCHEMBL8963983 | 0.80 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SLC6A9CACNA2D1 | |
| Hydrochloric Acid SCHEMBL8964016 | 0.79 | CACNA2D1 (0.40) | CYP3A4CYP2C9CYP2C19SLC6A9CACNA2D1 | |
| Hydrochloric Acid SCHEMBL8963440 | 0.79 | CYP2C19 (0.44) | CYP3A4CYP2C9CYP2C19SLC6A9CACNA2D1 | |
| SCHEMBL8963931 | 0.79 | CYP2D6 (0.44) | CYP2C9CYP2C19OPRD1OPRM1OPRK1 | |
| SCHEMBL8963825 | 0.78 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SLC6A9CACNA2D1 | |
| Hydrochloric Acid SCHEMBL8963864 | 0.78 | CYP2D6 (0.43) | CYP2C9CYP2C19OPRD1OPRM1OPRK1 | |
| SCHEMBL8963690 | 0.78 | PRMT5 (0.37) | OPRD1OPRM1MEN1KMT2AALDH1A1 |
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 |