Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 7/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8359430 | 0.88 | CYP19A1 (0.47) | CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL27963398 | 0.83 | KCNH2 (0.63) | KCNH2KMT2ACYP2D6TSHRCYP2C19 | |
| SCHEMBL26128312 | 0.81 | KCNH2 (0.48) | CYP11B1CYP11B2CYP19A1KCNH2CYP2D6 | |
| SCHEMBL7855826 | 0.81 | LMNA (0.59) | CYP11B1CYP11B2CYP19A1KMT2AHSP90AA1 | |
| SCHEMBL9341301 | 0.81 | TDP1 (0.58) | KCNH2KMT2ACYP2D6TSHRCYP2C19 | |
| SCHEMBL27885659 | 0.79 | TDP1 (0.50) | CYP11B1CYP11B2KCNH2KMT2ACYP2D6 | |
| SCHEMBL10425588 | 0.78 | CYP19A1 (0.51) | CYP11B1CYP11B2CYP19A1KMT2AHSP90AA1 | |
| SCHEMBL1507823 | 0.77 | CYP19A1 (0.54) | CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL1508003 | 0.77 | CYP19A1 (0.50) | CYP11B1CYP11B2CYP19A1KMT2AHSP90AA1 | |
| SCHEMBL8383472 | 0.77 | SMN1; SMN2 (0.54) | KCNH2KMT2ACYP2D6TSHRCYP2C19 |
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 13 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 | claimed |
| EP-0236940-B1 | ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES | CIBA-GEIGY AG (CH) | 1993-09-22 | — | — | EP | claimed |
| EP-0236940-A2 | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY AG (CH) | 1987-09-16 | — | — | EP | claimed |
| 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 |