Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12813322 | 1.00 | CYP19A1 (0.36) | CYP19A1USP2MAPTTRPA1SLC6A4 | |
| SCHEMBL12825623 | 0.84 | TRPA1 (0.35) | CYP19A1USP2MAPTTRPA1PIK3CA | |
| SCHEMBL16499264 | 0.84 | TRPA1 (0.35) | CYP19A1USP2MAPTTRPA1PIK3CA | |
| SCHEMBL16499567 | 0.83 | TRPA1 (0.39) | CYP19A1TRPA1KDM1A | |
| SCHEMBL16499383 | 0.83 | TRPA1 (0.39) | CYP19A1TRPA1KDM1A | |
| SCHEMBL12821791 | 0.80 | CYP11B1 (0.35) | CYP19A1TRPA1SLC6A4SLC6A3 | |
| SCHEMBL12825583 | 0.79 | GAA (0.33) | CYP19A1USP2MAPTKDM4EKMT2A | |
| SCHEMBL16499376 | 0.77 | SLC6A4 (0.37) | TRPA1SLC6A4SLC6A3 | |
| SCHEMBL12821627 | 0.77 | SLC6A4 (0.37) | TRPA1SLC6A4SLC6A3 | |
| SCHEMBL12821663 | 0.72 | CYP3A4 (0.42) | SLC6A3KDM1APDE7AALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012134971-A2 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |
| WO-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |