Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 6/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL29740368 | 0.72 | CA1 (0.44) | TRPA1PNMTDRD2DRD3CA12 | |
| SCHEMBL148119 | 0.72 | CA1 (0.44) | TRPA1PNMTDRD2DRD3CA12 | |
| SCHEMBL29740370 | 0.72 | CA1 (0.44) | TRPA1PNMTDRD2DRD3CA12 | |
| Hydrochloric Acid SCHEMBL20919478 | 0.70 | CA1 (0.43) | TRPA1PNMTDRD2DRD3CA12 | |
| SCHEMBL15320222 | 0.69 | PNMT (0.43) | TRPA1PNMTDRD2DRD3CA12 | |
| SCHEMBL3296947 | 0.68 | DRD2 (0.42) | TRPA1PNMTDRD2DRD3CA12 | |
| SCHEMBL6739755 | 0.68 | — | — | |
| SCHEMBL31545183 | 0.67 | PNMT (0.48) | TRPA1PNMTDRD2DRD3KDM1A | |
| SCHEMBL2809825 | 0.67 | PNMT (0.48) | TRPA1PNMTDRD2DRD3KDM1A | |
| Hydrochloric Acid SCHEMBL7003642 | 0.67 | PARP1 (0.50) | TRPA1PNMTDRD2DRD3CA12 |
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-2427444-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2012-03-14 | — | — | EP | disclosed |