Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.32 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL285348 | 0.76 | CYP19A1 (0.38) | CES2CES1CYP19A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9958956 | 0.71 | HPGD (0.44) | CES2CES1MEN1KMT2AELANE | |
| SCHEMBL284596 | 0.67 | CYP19A1 (0.44) | CYP19A1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL3973351 | 0.64 | HPGD (0.55) | MEN1KMT2AALDH1A1CYP2C9HPGD | |
| SCHEMBL3281774 | 0.63 | CES2 (0.52) | SMN1; SMN2CES2CES1ALDH1A1DAO | |
| SCHEMBL10877617 | 0.63 | CES2 (0.52) | SMN1; SMN2CES2CES1ALDH1A1DAO | |
| SCHEMBL38015 | 0.63 | CES1 (0.52) | SMN1; SMN2CES2CES1MEN1KMT2A | |
| SCHEMBL11844374 | 0.63 | ESR1 (0.56) | CES2CES1CYP19A1ALDH1A1DAO | |
| SCHEMBL3902058 | 0.63 | ESR1 (0.56) | CES2CES1CYP19A1ALDH1A1DAO | |
| SCHEMBL1800935 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000017-B1 | 1-(2-PHENYLETHYL)-TRIAZOLIUM SALTS, THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1981-09-30 | — | — | EP | claimed |
| EP-0000018-B1 | METAL SALT COMPLEXES OF 1-PHENYL-2-TRIAZOLYL-ETHANE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1981-01-07 | — | — | EP | claimed |
| US-4366152-A | Combatting fungi with metal salt complexes of 1-phenyl-2-(1,2,4-triazol-1-yl)-ethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1982-12-28 | — | — | US | disclosed |