Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8328066 | 0.86 | CYP19A1 (0.44) | CYP19A1KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8323103 | 0.85 | ESR1 (0.49) | CYP19A1CYP11B1CYP11B2CTSLESR1 | |
| SCHEMBL8329024 | 0.85 | CYP19A1 (0.39) | CYP19A1KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8327043 | 0.82 | CYP19A1 (0.45) | CYP19A1CTSLVNN1 | |
| SCHEMBL6063814 | 0.82 | CYP19A1 (0.38) | CYP19A1CYP11B1CYP11B2CTSLESR1 | |
| SCHEMBL8326433 | 0.80 | CYP19A1 (0.39) | CYP19A1KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8325528 | 0.80 | CYP19A1 (0.53) | CYP19A1CYP11B1CYP11B2HRH3POLB | |
| SCHEMBL8329428 | 0.80 | MAOA (0.42) | CYP19A1CYP11B1CYP11B2POLB | |
| SCHEMBL28922397 | 0.80 | CYP19A1 (0.46) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL8324221 | 0.80 | AR (0.45) | CYP19A1ALDH1A1CYP11B1CYP11B2POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-113387894-B | 1-N-benzene acetonitrile amido-triazole and pyrimidine derivative, preparation method and application thereof | 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) | 2023-02-24 | — | — | CN | disclosed |
| EP-0640595-B1 | SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF | YAMANOUCHI PHARMA CO LTD (JP) | 1999-03-24 | — | — | EP | disclosed |
| US-5538976-A | ANTICARCINOGENIC AGENTS AND ENZYME INHIBITORS FOR AROMATASE | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1996-07-23 | — | — | US | disclosed |
| EP-0640595-A1 | NOVEL SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-03-01 | — | — | EP | disclosed |