Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 11/20 | 0.67 |
| ▸ | CYP17A1 | P05093 | 7/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9167130 | 0.96 | CYP19A1 (0.66) | CYP19A1CYP17A1CYP11B1CYP11B2TBXAS1 | |
| SCHEMBL7859488 | 0.87 | CYP19A1 (0.67) | CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL9784379 | 0.84 | CYP19A1 (0.66) | CYP19A1CYP17A1 | |
| SCHEMBL8156789 | 0.84 | CYP19A1 (0.66) | CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL8149595 | 0.84 | CYP19A1 (0.66) | CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL8110779 | 0.81 | CYP19A1 (1.00) | CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL1507781 | 0.81 | CYP19A1 (0.66) | CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL7855823 | 0.81 | CYP19A1 (0.62) | CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL1508005 | 0.80 | CYP19A1 (0.69) | CYP19A1CYP17A1CYP11B1CYP11B2CYP26A1 | |
| SCHEMBL8408606 | 0.78 | CYP19A1 (1.00) | CYP19A1CYP17A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0236940-B3 | Alpha-heterocycle substituted tolunitriles | NOVARTIS AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| EP-0236940-B1 | ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES | CIBA-GEIGY AG (CH) | 1993-09-22 | — | — | EP | disclosed |
| US-4749713-A | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1988-06-07 | — | — | US | disclosed |
| EP-0236940-A2 | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY AG (CH) | 1987-09-16 | — | — | EP | disclosed |