Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.30 |
| ▸ | DRD3 | P35462 | 2/20 | 0.30 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL24891182 | 0.74 | GAA (0.32) | — | |
| SCHEMBL1092139 | 0.69 | TRPA1 (0.38) | TRPA1CA12CA9NOS3NOS1 | |
| SCHEMBL11017385 | 0.68 | TRPA1 (0.44) | TRPA1NOS3NOS1NOS2DRD2 | |
| SCHEMBL26916671 | 0.68 | TRPA1 (0.35) | TRPA1CA12CA9NOS3NOS1 | |
| SCHEMBL29740370 | 0.66 | CA1 (0.44) | TRPA1CA12CA9DRD2DRD3 | |
| SCHEMBL29740368 | 0.66 | CA1 (0.44) | TRPA1CA12CA9DRD2DRD3 | |
| SCHEMBL148119 | 0.66 | CA1 (0.44) | TRPA1CA12CA9DRD2DRD3 | |
| SCHEMBL28039609 | 0.66 | PNMT (0.42) | TRPA1NOS3NOS1NOS2DRD2 | |
| Hydrochloric Acid SCHEMBL20919478 | 0.65 | CA1 (0.43) | TRPA1CA12CA9DRD2DRD3 | |
| SCHEMBL7038650 | 0.65 | TRPA1 (0.44) | TRPA1NOS3NOS1NOS2DRD2 |
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-2008060301-A1 | 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION | PHARMACOPEIA , LLC (US) | 2008-05-22 | — | — | WO | disclosed |