Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.51 |
| ▸ | RXRA | P19793 | 4/20 | 0.50 |
| ▸ | RXRB | P28702 | 2/20 | 0.50 |
| ▸ | RXRG | P48443 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.45 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5990089 | 0.89 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD | |
| SCHEMBL8132106 | 0.85 | AKR1C2 (0.45) | RXRACNR1CNR2ALDH1A1KDM4E | |
| SCHEMBL1649282 | 0.83 | ALDH1A1 (0.62) | HSP90AA1HSP90AB1ALDH1A1KDM4ETDP1 | |
| SCHEMBL8458838 | 0.81 | RXRA (0.56) | RXRARXRBRXRGALDH1A1KDM4E | |
| SCHEMBL8136816 | 0.78 | CSNK2A1 (0.67) | RXRAALDH1A1KDM4EHPGDCYP2C9 | |
| SCHEMBL8123713 | 0.78 | RXRA (0.53) | RXRAALDH1A1KDM4ETDP1CYP2C9 | |
| SCHEMBL105270 | 0.76 | RXRA (0.62) | RXRARXRBRXRGALDH1A1KDM4E | |
| SCHEMBL30718463 | 0.76 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1CNR1CNR2ALDH1A1 | |
| SCHEMBL2354241 | 0.75 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1ALDH1A1KDM4ETDP1 | |
| SCHEMBL29495445 | 0.75 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1ALDH1A1KDM4ETDP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0663393-B1 | 3-Amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors | HOFFMANN LA ROCHE (CH) | 2000-07-05 | — | — | EP | claimed |
| US-5583222-A | ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1996-12-10 | — | — | US | claimed |
| EP-0663393-A1 | Novel 3-amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1995-07-19 | — | — | EP | claimed |
| EP-0663393-B1 | 3-Amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors | HOFFMANN LA ROCHE (CH) | 2000-07-05 | — | — | EP | disclosed |
| US-5914406-A | ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA | HOFFMAN-LA ROCHE INC. (US) | 1999-06-22 | — | — | US | disclosed |
| US-5750706-A | TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-12 | — | — | US | disclosed |
| US-5583222-A | ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1996-12-10 | — | — | US | disclosed |
| EP-0663393-A1 | Novel 3-amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1995-07-19 | — | — | EP | disclosed |