Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 16/20 | 0.85 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1507825 | 0.92 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL10693298 | 0.87 | CYP19A1 (1.00) | CYP19A1CYP1A2CYP3A4CYP2D6CYP17A1 | |
| SCHEMBL1507734 | 0.87 | CYP19A1 (0.88) | CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL1507754 | 0.87 | CYP19A1 (0.88) | CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL1507987 | 0.85 | CYP19A1 (0.85) | CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL9164999 | 0.82 | CYP19A1 (0.78) | CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL1507789 | 0.82 | CYP19A1 (0.78) | CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL1507768 | 0.82 | CYP19A1 (0.78) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL11366789 | 0.81 | CYP19A1 (1.00) | CYP19A1CYP1A2CYP3A4CYP2D6CYP11B1 | |
| SCHEMBL1507821 | 0.81 | CYP19A1 (0.76) | CYP19A1CYP3A4CYP11B1CYP11B2CYP17A1 |
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 9 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 |
| US-5473078-A | Aromatase inhibiting compounds | CIBA-GEIGY CORPORATION (US) | 1995-12-05 | — | — | US | disclosed |
| EP-0236940-B1 | ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES | CIBA-GEIGY AG (CH) | 1993-09-22 | — | — | EP | disclosed |
| US-5112845-A | Inhibitors of estrogen synthesis, veterinary medicine | CIBA-GEIGY CORPORATION (US) | 1992-05-12 | — | — | US | disclosed |
| US-5071861-A | Aromatase enzyme inhibitor; antiestrogens | CIBA-GEIGY CORPORATION (US) | 1991-12-10 | — | — | US | disclosed |
| US-4978672-A | Alpha-heterocyclc substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1990-12-18 | — | — | US | disclosed |
| US-4937250-A | AROMATASE ENZYME INHIBITORS | CIBA-GEIGY CORPORATION (US) | 1990-06-26 | — | — | US | 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 |