Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 8/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CCNK | O75909 | 1/20 | 0.38 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31608486 | 0.79 | CYP2A6 (0.47) | CYP2A6CDK5CDK5R1SMN1; SMN2CYP2C9 | |
| SCHEMBL30332536 | 0.77 | CYP2A6 (0.56) | LOXL2CYP2A6CDK5CDK5R1SMN1; SMN2 | |
| SCHEMBL9400328 | 0.77 | CYP2A6 (0.56) | LOXL2CYP2A6CDK5CDK5R1SMN1; SMN2 | |
| SCHEMBL30115268 | 0.70 | CYP2A6 (0.56) | CYP2A6SMN1; SMN2CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL3138189 | 0.70 | CYP2A6 (0.56) | CYP2A6SMN1; SMN2CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL28225656 | 0.69 | KCNA5 (0.43) | LOXL2CYP2A6HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL7092910 | 0.68 | CYP2A6 (0.67) | CYP2A6HSP90AA1HSP90AB1PTK2CDK5 | |
| SCHEMBL29852394 | 0.68 | NPC1 (0.41) | CYP2A6HSP90AA1HSP90AB1PTK2CDK5 | |
| SCHEMBL30607540 | 0.67 | DPP4 (0.43) | LOXL2KCNA5 | |
| SCHEMBL3288789 | 0.65 | DPP4 (0.62) | LOXL2CYP2A6CYP2C9CYP2B6CYP2C19 |
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-3055302-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015052264-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-16 | — | — | WO | disclosed |