Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.42 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4688891 | 0.85 | CHRM2 (0.54) | CHRM3CYP2D6CYP3A4CYP2C19CHRM2 | |
| SCHEMBL2659902 | 0.80 | TACR1 (0.48) | CHRM3TACR1CHRM2 | |
| SCHEMBL20522860 | 0.80 | TACR1 (0.48) | CHRM3TACR1CHRM2 | |
| SCHEMBL15793583 | 0.78 | CHRM3 (0.55) | CHRM3CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL984598 | 0.75 | CHRM3 (0.53) | CHRM3CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL982618 | 0.75 | CHRM3 (0.53) | CHRM3CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL982619 | 0.75 | CHRM3 (0.53) | CHRM3CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL20913758 | 0.73 | CHRM3 (0.50) | CHRM3CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL22594754 | 0.73 | L3MBTL1 (0.52) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL4423264 | 0.72 | ALDH1A1 (0.60) | CHRM3CYP2D6CYP1A2CYP3A4CYP2C19 |
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-2010091721-A1 | 3 -SUBSTITUTED 1-ARYLSULFONYLPIPERIDINE DERIVATIVES FOR THE TREATMENT OF PAIN | GLAXO GROUP LIMITED (GB) | 2010-08-19 | — | — | WO | disclosed |