Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 8/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL171388 | 0.83 | HRH3 (0.57) | CYP11B2CYP11B1CYP19A1HRH3KDM4E | |
| SCHEMBL29442890 | 0.83 | HRH3 (0.57) | CYP11B2CYP11B1CYP19A1HRH3KDM4E | |
| SCHEMBL11065869 | 0.82 | TBXAS1 (0.51) | CYP11B2CYP11B1TBXAS1HRH3LTA4H | |
| SCHEMBL727185 | 0.80 | CYP1A2 (0.62) | CYP11B2CYP11B1TBXAS1HRH3CYP1A2 | |
| SCHEMBL171234 | 0.79 | HRH3 (0.53) | CYP11B2CYP11B1CYP19A1HRH3LTA4H | |
| SCHEMBL29995759 | 0.78 | CYP11B1 (0.65) | CYP11B2CYP11B1TBXAS1HRH3LTA4H | |
| SCHEMBL854445 | 0.78 | TSHR (0.59) | HRH3LTA4H | |
| SCHEMBL177863 | 0.78 | CYP11B1 (0.65) | CYP11B2CYP11B1TBXAS1HRH3LTA4H | |
| SCHEMBL1344068 | 0.78 | LOXL2 (0.65) | CYP19A1HRH3ALDH1A1 | |
| SCHEMBL10558180 | 0.77 | CYP3A4 (0.68) | CYP11B2LTA4HKDM4EALDH1A1CYP1A2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5071861-A | Aromatase enzyme inhibitor; antiestrogens | CIBA-GEIGY CORPORATION (US) | 1991-12-10 | — | — | US | claimed |
| EP-0236940-B3 | Alpha-heterocycle substituted tolunitriles | NOVARTIS AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| EP-0504574-B1 | 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same | WAKAMOTO PHARMA CO LTD (JP) | 1996-02-28 | — | — | EP | disclosed |
| US-5473078-A | Aromatase inhibiting compounds | CIBA-GEIGY CORPORATION (US) | 1995-12-05 | — | — | US | disclosed |
| US-5356916-A | Treating Parkinson*s disease | WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) | 1994-10-18 | — | — | 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 |
| EP-0504574-A1 | 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same | Wakamoto Pharmaceutical Co., Ltd. (JP) | 1992-09-23 | — | — | 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 |