Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.71 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1507782 | 0.98 | CYP19A1 (0.69) | CYP19A1CYP11B2CYP11B1KCNA5CYP17A1 | |
| SCHEMBL2354875 | 0.83 | CYP19A1 (1.00) | CYP19A1CYP11B2CYP11B1KCNA5CYP17A1 | |
| SCHEMBL9790964 | 0.83 | CYP19A1 (1.00) | CYP19A1CYP11B2CYP11B1KCNA5CYP17A1 | |
| SCHEMBL1242475 | 0.82 | CFTR (0.58) | CYP19A1KCNA5CYP17A1CFTRSLC6A2 | |
| Hydrochloric Acid SCHEMBL1507785 | 0.81 | CYP19A1 (0.97) | CYP19A1CYP11B2CYP11B1KCNA5CYP17A1 | |
| SCHEMBL9159599 | 0.80 | CYP19A1 (0.71) | CYP19A1CYP11B2CYP11B1KCNA5CYP17A1 | |
| SCHEMBL10558176 | 0.80 | CYP19A1 (0.71) | CYP19A1CYP11B2CYP11B1KCNA5CYP17A1 | |
| SCHEMBL13971463 | 0.80 | CYP19A1 (0.71) | CYP19A1CYP11B2CYP11B1KCNA5CYP17A1 | |
| SCHEMBL4004958 | 0.80 | CFTR (0.63) | CYP19A1KCNA5CFTRSLC6A2SLC6A4 | |
| SCHEMBL9161512 | 0.80 | TSHR (0.54) | CYP19A1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-5112845-A | Inhibitors of estrogen synthesis, veterinary medicine | CIBA-GEIGY CORPORATION (US) | 1992-05-12 | — | — | US | disclosed |
| US-4978672-A | Alpha-heterocyclc substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1990-12-18 | — | — | US | disclosed |