Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9199550 | 0.86 | KMT2A (0.64) | CYP19A1KMT2AHSP90AA1MAPTLMNA | |
| SCHEMBL6227295 | 0.84 | CYP19A1 (0.51) | CYP19A1KMT2AHSP90AA1MAPTLMNA | |
| SCHEMBL10361474 | 0.84 | HSP90AA1 (0.49) | CYP19A1KMT2AHSP90AA1MAPTCYP26A1 | |
| Hydrochloric Acid SCHEMBL9792757 | 0.83 | HSP90AA1 (0.48) | CYP19A1KMT2AHSP90AA1MAPTCYP26A1 | |
| SCHEMBL11563115 | 0.81 | CYP19A1 (0.50) | CYP19A1KMT2AHSP90AA1MAPTLMNA | |
| SCHEMBL10361626 | 0.81 | HSP90AA1 (0.49) | CYP19A1KMT2AHSP90AA1MAPTCYP26A1 | |
| SCHEMBL10711903 | 0.81 | CYP19A1 (0.53) | CYP19A1KMT2AHSP90AA1MAPTLMNA | |
| SCHEMBL10408460 | 0.79 | CYP19A1 (0.56) | CYP19A1KMT2AHSP90AA1MAPTLMNA | |
| SCHEMBL10568532 | 0.79 | HSP90AA1 (0.47) | KMT2AHSP90AA1LMNACYP26A1CYP3A4 | |
| SCHEMBL10570329 | 0.78 | SLC6A4 (0.43) | CYP19A1KMT2AHSP90AA1MAPTLMNA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5032607-A | Enzyme inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-07-16 | — | — | US | disclosed |
| US-4945101-A | Fungicidal novel hydroxyalkynyl-azolyl derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1990-07-31 | — | — | US | disclosed |
| US-4866086-A | PHENYLTRIAZOLYL OLEFINIC AROMATASE INHIBITORS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-09-12 | — | — | US | disclosed |
| EP-0192055-B1 | HYDROXYALKYNYL-AZOLYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1989-08-09 | — | — | EP | disclosed |
| EP-0299683-A2 | Heterocyclic olefinic compounds and their use as aromatase inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-01-18 | — | — | EP | disclosed |
| US-4625036-A | Antifungal azole compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-11-25 | — | — | US | disclosed |
| EP-0192055-A2 | Hydroxyalkynyl-azolyl derivatives, process for their preparation and their use as fungicides | BAYER AG (DE) | 1986-08-27 | — | — | EP | disclosed |
| US-4578396-A | Fungicidal hydroxyalkinyl-azolyl derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1986-03-25 | — | — | US | disclosed |
| EP-0122693-A1 | Antifungal di(azolyl)propanol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-10-24 | — | — | EP | disclosed |
| EP-0096786-A2 | Hydroxyalkynyl-azolyl derivatives, process for their preparation and their use as fungicides | BAYER AG (DE) | 1983-12-28 | — | — | EP | disclosed |