Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 12/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1507799 | 0.92 | CYP19A1 (0.46) | CYP19A1ALDH1A1CYP3A4CYP11B1TSHR | |
| SCHEMBL9165274 | 0.85 | ALDH1A1 (0.47) | CYP19A1MAOBKDM1AERBB2ALDH1A1 | |
| SCHEMBL9165088 | 0.85 | CA12 (0.47) | CYP19A1 | |
| SCHEMBL9167057 | 0.83 | CYP19A1 (0.47) | CYP19A1MAOBMAOAKDM1AALDH1A1 | |
| SCHEMBL9159563 | 0.82 | KIF11 (0.47) | CYP19A1MAOBKDM1ACYP3A4 | |
| SCHEMBL9158480 | 0.81 | CYP19A1 (0.37) | CYP19A1KDM1AALDH1A1 | |
| SCHEMBL9165314 | 0.80 | KDM4E (0.39) | KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL9163503 | 0.80 | CYP19A1 (0.68) | CYP19A1KDM4EALDH1A1HPGDCYP3A4 | |
| SCHEMBL1552746 | 0.78 | CYP19A1 (0.38) | CYP19A1MAOBTSHR | |
| SCHEMBL9160207 | 0.77 | CYP19A1 (0.37) | CYP19A1KDM1AALDH1A1CYP3A4CYP11B1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0490816-B1 | Fluoro-compounds and their use as aromatase inhibitors | CIBA GEIGY AG (CH) | 1997-07-09 | — | — | EP | disclosed |
| US-5637605-A | ANTITUMOR AGENTS | CIBA GEIGY CORPORATION (US) | 1997-06-10 | — | — | US | disclosed |
| US-5583128-A | ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR | CIBA-GEIGY CORPORATION (US) | 1996-12-10 | — | — | US | disclosed |
| US-5473078-A | Aromatase inhibiting compounds | CIBA-GEIGY CORPORATION (US) | 1995-12-05 | — | — | US | disclosed |
| US-5457209-A | Antitumor agents | CIBA-GEIGY CORPORATION (US) | 1995-10-10 | — | — | US | disclosed |
| US-5376669-A | Antitumor agents | CIBA-GEIGY CORP. (US) | 1994-12-27 | — | — | 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-5227393-A | estrogen-dependent diseases, anticancer | CIBA-GEIGY CORPORATION (US) | 1993-07-13 | — | — | US | disclosed |
| EP-0490816-A2 | Fluoro-compounds | CIBA-GEIGY AG (CH) | 1992-06-17 | — | — | EP | 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 |