Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.31 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL25829653 | 0.81 | TRPA1 (0.38) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18544284 | 0.80 | GRM4 (0.34) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21050753 | 0.80 | TRPA1 (0.38) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20687487 | 0.78 | TRPA1 (0.36) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL26694677 | 0.71 | TRPA1 (0.32) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18180520 | 0.69 | TRPA1 (0.35) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21563189 | 0.68 | CSNK2A1 (0.36) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29517451 | 0.68 | TRPA1 (0.39) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27882381 | 0.68 | TRPA1 (0.39) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12336177 | 0.67 | KCNA5 (0.51) | TRPA1CYP1A2CYP3A4CYP2D6CYP2C9 |
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-2017029602-A2 | COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-02-23 | — | — | WO | disclosed |