Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 8/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.43 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1507823 | 0.93 | CYP19A1 (0.54) | HDAC8HDAC6CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1507797 | 0.88 | BRD4 (0.51) | HDAC8HDAC6CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1507751 | 0.86 | CYP11B1 (0.56) | HDAC8HDAC6CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL22782676 | 0.86 | LIMK2 (0.55) | HDAC8HDAC6CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1507767 | 0.83 | CYP19A1 (0.51) | CYP19A1CYP11B1CYP11B2HSP90AA1HSP90B1 | |
| SCHEMBL9164995 | 0.83 | KIF11 (0.51) | HDAC8HDAC6CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL8688339 | 0.81 | LIMK2 (0.59) | HSP90AA1LIMK2BRD4 | |
| SCHEMBL1508007 | 0.81 | HSP90AA1 (0.50) | HDAC8HDAC6CYP19A1MMP3CYP11B1 | |
| SCHEMBL1507788 | 0.79 | CYP11B2 (0.52) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1507820 | 0.79 | CYP19A1 (0.46) | HDAC8HDAC6CYP19A1CYP11B1CYP11B2 |
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 |