Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.31 |
| ▸ | SOD1 | P00441 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 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 | |
|---|---|---|---|---|
| SCHEMBL16499567 | 1.00 | TRPA1 (0.39) | TRPA1CYP19A1SIGMAR1TMEM97KDM1A | |
| SCHEMBL12825623 | 0.84 | TRPA1 (0.35) | TRPA1CYP19A1SOD1CETP | |
| SCHEMBL16499264 | 0.84 | TRPA1 (0.35) | TRPA1CYP19A1SOD1CETP | |
| SCHEMBL12813322 | 0.83 | CYP19A1 (0.36) | TRPA1CYP19A1KDM1A | |
| SCHEMBL12813600 | 0.83 | CYP19A1 (0.36) | TRPA1CYP19A1KDM1A | |
| SCHEMBL12821791 | 0.82 | CYP11B1 (0.35) | TRPA1CYP19A1SIGMAR1TMEM97 | |
| SCHEMBL16499469 | 0.81 | TRPA1 (0.39) | TRPA1SIGMAR1TMEM97KDM1AHDAC4 | |
| SCHEMBL12813268 | 0.81 | CYP3A4 (0.44) | SIGMAR1 | |
| SCHEMBL16499376 | 0.79 | SLC6A4 (0.37) | TRPA1SIGMAR1TMEM97 | |
| SCHEMBL12821627 | 0.79 | SLC6A4 (0.37) | TRPA1SIGMAR1TMEM97 |
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-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |