Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4378023 | 0.79 | CYP3A4 (0.40) | CYP2D6CYP3A4CYP1A2CYP2C9CYP19A1 | |
| SCHEMBL4384634 | 0.79 | KCNH2 (0.36) | CYP2D6CYP3A4CYP1A2CYP2C9CYP19A1 | |
| SCHEMBL8795449 | 0.77 | KCNH2 (0.52) | CYP2D6CYP3A4CYP1A2CYP2C19KCNH2 | |
| SCHEMBL4383493 | 0.76 | CYP1A2 (0.33) | CYP2D6CYP3A4CYP1A2CYP2C9CYP19A1 | |
| SCHEMBL4386386 | 0.75 | KCNH2 (0.37) | CYP2D6CYP3A4CYP2C9KCNH2HRH3 | |
| SCHEMBL7961327 | 0.75 | RAB9A (0.43) | KCNH2HRH3 | |
| SCHEMBL7987297 | 0.75 | HRH3 (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL4380966 | 0.75 | NQO1 (0.45) | CYP2D6CYP3A4CYP1A2CYP2C9CYP19A1 | |
| SCHEMBL7977252 | 0.74 | NOS1 (0.47) | KCNH2 | |
| SCHEMBL8793384 | 0.73 | CYP3A4 (0.36) | CYP2D6CYP3A4CYP1A2CYP2C9CYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0760811-A1 | IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1997-03-12 | — | — | EP | claimed |
| WO-1996023496-A1 | USE OF MELATONIN FOR TREATING PATIENTS SUFFERING FROM DRUG ADDICTION | NEURIM PHARMACEUTICALS (1991) LTD. (US) | 1996-08-08 | — | — | WO | disclosed |