Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 14/20 | 0.88 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.68 |
| ▸ | USP2 | O75604 | 1/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | PGR | P06401 | 1/20 | 0.68 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | IDO1 | P14902 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | MAOA | P21397 | 1/20 | 0.68 |
| ▸ | CNR1 | P21554 | 1/20 | 0.68 |
| ▸ | HTR2A | P28223 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.68 |
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 | 0.94 | CYP19A1 (1.00) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL1507789 | 0.89 | CYP19A1 (0.78) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL1507734 | 0.88 | CYP19A1 (0.88) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| Hydrochloric Acid SCHEMBL9517892 | 0.88 | CYP19A1 (0.76) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL1507853 | 0.87 | CYP19A1 (0.67) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL1507798 | 0.87 | CYP19A1 (0.85) | CYP19A1CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL1507987 | 0.87 | CYP19A1 (0.85) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| Hydrochloric Acid SCHEMBL9440592 | 0.85 | CYP19A1 (0.72) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL738495 | 0.85 | CYP19A1 (1.00) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL1507791 | 0.85 | CYP19A1 (0.72) | CYP19A1CYP17A1MEN1NR1I2USP2 |
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 10 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 |
| US-5352795-A | Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide | CIBA-GEIGY CORPORATION (US) | 1994-10-04 | — | — | 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 |