Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 15/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL1507978 | 0.94 | ADRA2A (0.42) | CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11223097 | 0.84 | SLC6A4 (0.45) | CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9803992 | 0.83 | CYP19A1 (0.43) | CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7908696 | 0.82 | CYP19A1 (0.42) | CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8411281 | 0.81 | CYP19A1 (0.63) | CYP19A1 | |
| SCHEMBL30585956 | 0.80 | CYP19A1 (0.51) | CYP19A1TSHRHSD17B10 | |
| SCHEMBL19642925 | 0.80 | CYP1A2 (0.44) | CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6437501 | 0.80 | CYP19A1 (0.41) | CYP19A1 | |
| SCHEMBL7905623 | 0.79 | FPR2 (0.40) | CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8326961 | 0.78 | CYP19A1 (0.37) | CYP19A1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4749713-A | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1988-06-07 | — | — | US | claimed |