Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 14/20 | 0.56 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4078028 | 0.73 | CYP19A1 (0.68) | CYP19A1CYP11B2CYP3A4CYP11B1TSHR | |
| SCHEMBL2355389 | 0.72 | CYP19A1 (1.00) | CYP19A1CYP11B2CYP3A4CYP11B1TSHR | |
| SCHEMBL8700864 | 0.71 | CYP19A1 (0.69) | CYP19A1CYP11B2CYP3A4CYP11B1TSHR | |
| SCHEMBL2921542 | 0.70 | KEAP1 (0.68) | NOTUMCYP11B2CYP3A4CYP11B1KEAP1 | |
| SCHEMBL8746229 | 0.68 | CYP19A1 (0.56) | CYP19A1NOTUMCYP11B2CYP3A4CYP11B1 | |
| SCHEMBL9790964 | 0.68 | CYP19A1 (1.00) | CYP19A1CYP11B2CYP3A4CYP11B1ALDH1A1 | |
| SCHEMBL2354875 | 0.68 | CYP19A1 (1.00) | CYP19A1CYP11B2CYP3A4CYP11B1ALDH1A1 | |
| SCHEMBL2356831 | 0.67 | CYP19A1 (0.54) | CYP19A1CYP11B2CYP3A4CYP11B1TSHR | |
| Hydrochloric Acid SCHEMBL1507785 | 0.67 | CYP19A1 (0.97) | CYP19A1CYP11B2CYP3A4CYP11B1ALDH1A1 | |
| SCHEMBL1343704 | 0.66 | CYP19A1 (0.63) | CYP19A1TSHRALDH1A1CYP2A6CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0477141-B1 | Heteroarylmethylbenzols aromatase inhibitors | CIBA GEIGY AG (CH) | 1997-02-26 | — | — | EP | disclosed |
| US-5378721-A | AROMATASE INHIBITORS | CIBA-GEIGY CORPORATION (US) | 1995-01-03 | — | — | US | disclosed |
| US-5246952-A | Antitumor agents | CIBA-GEIGY CORPORATION (US) | 1993-09-21 | — | — | US | disclosed |
| EP-0477141-A1 | Heteroarylmethylbenzols aromatase inhibitors | CIBA-GEIGY AG (CH) | 1992-03-25 | — | — | EP | disclosed |