Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | SRC | P12931 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13781424 | 0.84 | HDAC1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL31324468 | 0.84 | EGLN3 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7293623 | 0.84 | HTT (0.63) | ALDH1A1KDM4ECYP19A1KMT2AMEN1 | |
| SCHEMBL673406 | 0.84 | LMNA (0.53) | CYP3A4CYP2C19CYP19A1KMT2AMAPT | |
| SCHEMBL412906 | 0.84 | HDAC1 (0.49) | CYP19A1MAPTHTTHDAC1HDAC6 | |
| SCHEMBL5066568 | 0.83 | CYP19A1 (0.59) | ALDH1A1CYP19A1KMT2AMEN1MAPT | |
| SCHEMBL10559569 | 0.83 | ALDH1A1 (0.55) | SRCALDH1A1KDM4EMAPTHTT | |
| Hydrochloric Acid SCHEMBL409501 | 0.83 | HTT (0.61) | ALDH1A1KDM4ECYP19A1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL412860 | 0.82 | CYP19A1 (0.57) | ALDH1A1CYP19A1KMT2AMEN1MAPT | |
| SCHEMBL10560674 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1003505-B1 | HETEROCYCLIC VINYLETHERS AGAINST NEUROLOGICAL DISORDERS | HOFFMANN LA ROCHE (CH) | 2004-03-24 | — | — | EP | disclosed |
| US-6248901-B1 | (1-PHENYL-2-CYCLOALKYLOXY-VINYL)-(1,2,4)TRIAZOLES; CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS. | HOFFMAN-LA ROCHE INC. | 2001-06-19 | — | — | US | disclosed |
| US-6054588-A | Heterocyclic vinyl ethers | HOFFMAN-LA ROCHE INC. (US) | 2000-04-25 | — | — | US | disclosed |
| EP-0431968-B1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | SANKYO CO (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5332753-A | Thiazole derivatives, their preparation and their use as fungicides | SHELL RESEARCH LIMITED (GB) | 1994-07-26 | — | — | US | disclosed |
| US-5134152-A | 1,2,4-Triazole compounds | SANKYO COMPANY, LIMITED (JP) | 1992-07-28 | — | — | US | disclosed |
| EP-0431968-A1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | Sankyo Company Limited (JP) | 1991-06-12 | — | — | EP | disclosed |
| EP-0411718-A2 | Thiazole derivatives, their preparation and their use as fungicides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-02-06 | — | — | EP | disclosed |
| US-4767866-A | 3-Phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)-2-methyl-5-alkylisoxazolidines | PENNWALT CORPORATION (US) | 1988-08-30 | — | — | US | disclosed |
| EP-0183147-A2 | Beta-substituted aminophenethylazol derivatives | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1986-06-04 | — | — | EP | disclosed |