Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 2/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP4 | P49662 | 1/20 | 0.44 |
| ▸ | CASP5 | P51878 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | BPTF | Q12830 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.42 |
| ▸ | HTR3B | O95264 | 4/20 | 0.42 |
| ▸ | HTR3A | P46098 | 4/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.42 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15552038 | 0.83 | CASP1 (0.38) | CASP1CASP4CASP5ALDH1A1KDM4E | |
| SCHEMBL4151303 | 0.79 | — | — | |
| SCHEMBL5548801 | 0.79 | HRH4 (0.44) | HRH3ALDH1A1KDM4EHRH4HTR3E | |
| SCHEMBL8336552 | 0.78 | CYP2C19 (0.41) | ALDH1A1KDM4EHRH4CYP1A2HSD17B10 | |
| SCHEMBL27897991 | 0.71 | MAP4K4 (0.36) | HRH3HRH4HRH1 | |
| SCHEMBL5548798 | 0.70 | HTR2C (0.42) | HTR2CHTR2A | |
| SCHEMBL2915396 | 0.69 | IP6K1 (0.45) | PLD1HRH3CASP1CASP4CASP5 | |
| SCHEMBL16410174 | 0.68 | PLD1 (0.46) | PLD1HRH3CASP1CASP4CASP5 | |
| SCHEMBL19046435 | 0.67 | CXCR4 (0.45) | HRH3ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL26669648 | 0.67 | CYP1A2 (0.50) | PLD1HRH3CASP1CASP4CASP5 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0755930-B1 | BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME | SUNTORY LTD (JP) | 2002-07-31 | — | — | EP | disclosed |
| US-6337397-B1 | A BENZOXAZEPINE DERIVATIVE FOR TREATMENT OF ANXIETY NEUROSIS, PHOBIAS, OBSESSIVE-COMPULSIVE DISORDERS, SCHIZOPHRENIA, POST-CARDIAC TRAUMA STRESS DISORDERS, DEPRESSION DISORDERS, PSYCHOSOMATIC DISORDERS AND OTHER PSYCHONEUROTIC DISORDERS, | SUNTORY LIMITED (JP) | 2002-01-08 | — | — | US | disclosed |
| US-6187769-B1 | Benzoxazepine derivatives and their salts and medicaments containing the same | SUNTORY LIMITED (JP) | 2001-02-13 | — | — | US | disclosed |
| EP-0755930-A1 | BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME | SUNTORY LIMITED (JP) | 1997-01-29 | — | — | EP | disclosed |
| EP-0300726-B1 | PIPERAZINYL DERIVATES OF PURINES AND ISOSTERES THEREOF AS HYPOGLYCEMIC AGENTS | MERCK & CO. INC. (US) | 1993-09-22 | — | — | EP | disclosed |
| EP-0300726-A1 | Piperazinyl derivates of purines and isosteres thereof as hypoglycemic agents | MERCK & CO. INC. (US) | 1989-01-25 | — | — | EP | disclosed |