Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 3/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2343261 | 0.81 | OPRM1 (0.42) | HRH3ACSS2 | |
| SCHEMBL20028031 | 0.80 | CSF1R (0.51) | IGF1R | |
| SCHEMBL2361420 | 0.80 | NFE2L2 (0.46) | MCHR1 | |
| SCHEMBL20641328 | 0.79 | ACSS2 (0.49) | HRH3CYP2D6CYP3A4ACSS2NPC1 | |
| SCHEMBL2362005 | 0.76 | CYP3A4 (0.51) | HRH3CYP3A4ACSS2NPC1RAB9A | |
| SCHEMBL16084159 | 0.75 | HTR3E (0.42) | HRH3CYP2D6IGF1R | |
| SCHEMBL5516174 | 0.74 | PDE6D (0.49) | HRH3CYP2D6ROCK1 | |
| SCHEMBL572954 | 0.74 | ALK (0.47) | — | |
| SCHEMBL1284122 | 0.74 | DRD3 (0.53) | HRH3MCHR1 | |
| SCHEMBL14382358 | 0.74 | MAPT (0.50) | HRH3CYP2D6MTORPRKDCRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011099832-A2 | NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CRYSTALGENOMICS, INC. (KR) | 2011-08-18 | — | — | WO | disclosed |