Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CETP | P11597 | 3/20 | 0.33 |
| ▸ | SOD1 | P00441 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12825623 | 1.00 | TRPA1 (0.35) | TRPA1CYP19A1CETPSOD1HSP90AA1 | |
| SCHEMBL16499567 | 0.84 | TRPA1 (0.39) | TRPA1CYP19A1CETPSOD1 | |
| SCHEMBL12813600 | 0.84 | CYP19A1 (0.36) | TRPA1CYP19A1KDM4EUSP2MAPT | |
| SCHEMBL12813322 | 0.84 | CYP19A1 (0.36) | TRPA1CYP19A1KDM4EUSP2MAPT | |
| SCHEMBL16499383 | 0.84 | TRPA1 (0.39) | TRPA1CYP19A1CETPSOD1 | |
| SCHEMBL12821791 | 0.81 | CYP11B1 (0.35) | TRPA1CYP19A1 | |
| SCHEMBL12825583 | 0.80 | GAA (0.33) | CYP19A1CETPHSP90AA1KDM4EMEN1 | |
| SCHEMBL16499376 | 0.78 | SLC6A4 (0.37) | TRPA1CYP3A4 | |
| SCHEMBL12821627 | 0.78 | SLC6A4 (0.37) | TRPA1CYP3A4 | |
| SCHEMBL16499505 | 0.73 | CYP3A4 (0.42) | CYP3A4MAPK1 |
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 |