Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | HTR5A | P47898 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2854473 | 0.83 | TAAR1 (0.50) | CYP2D6CYP3A4CYP2C19ALDH1A1HTR2A | |
| SCHEMBL16606308 | 0.82 | CYP1A2 (0.74) | CYP1A2CYP2D6CHRM2HTR5ASCN8A | |
| SCHEMBL10561741 | 0.80 | CYP1A2 (0.61) | CYP1A2CYP2D6CHRM2HTR5AALDH1A1 | |
| SCHEMBL29875178 | 0.80 | CYP1A2 (0.83) | CYP1A2CYP2D6CHRM2SCN8AALDH1A1 | |
| SCHEMBL19031318 | 0.80 | CYP1A2 (0.83) | CYP1A2CYP2D6CHRM2SCN8AALDH1A1 | |
| SCHEMBL10859183 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP2D6CHRM2HTR5ACYP3A4 | |
| SCHEMBL7235869 | 0.79 | CYP1A2 (0.69) | CYP1A2CYP2D6CHRM2CYP3A4CYP2C9 | |
| SCHEMBL10859125 | 0.78 | SCN8A (0.66) | CYP1A2CYP2D6CHRM2HTR5ACYP3A4 | |
| SCHEMBL24069916 | 0.78 | CYP1A2 (0.68) | CYP1A2CYP2D6CHRM2HTR5AALDH1A1 | |
| Hydrochloric Acid SCHEMBL30115033 | 0.78 | CYP1A2 (0.67) | CYP1A2CYP2D6CHRM2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | disclosed |