Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 3/20 | 0.50 |
| ▸ | ECE1 | P42892 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.47 |
| ▸ | ITGAV | P06756 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GRM8 | O00222 | 1/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5475428 | 0.87 | CNR2 (0.61) | CNR2CYP3A4CYP2C9HPGDALDH1A1 | |
| SCHEMBL1243478 | 0.86 | EPHX2 (0.54) | EPHX2CNR2ECE1CYP1A2CYP3A4 | |
| SCHEMBL14037327 | 0.77 | ITGB3 (0.57) | EPHX2CNR2ECE1CYP1A2CYP3A4 | |
| SCHEMBL6638460 | 0.77 | ITGB3 (0.57) | EPHX2CNR2ECE1CYP1A2CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL4022994 | 0.76 | ITGB3 (0.56) | EPHX2CNR2ECE1CYP1A2CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL27572931 | 0.76 | ITGB3 (0.56) | EPHX2CNR2ECE1CYP1A2CYP3A4 | |
| SCHEMBL5472631 | 0.74 | CNR2 (0.55) | CNR2CYP3A4CYP2C9HPGDALDH1A1 | |
| SCHEMBL1242417 | 0.73 | CYP1A2 (0.56) | EPHX2CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL1242912 | 0.72 | KCNA5 (0.53) | EPHX2CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL1243109 | 0.72 | KCNA5 (0.51) | EPHX2CNR2ECE1CYP1A2CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1184374-B1 | Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders | ORTHO MCNEIL PHARM INC (US) | 2009-01-28 | — | — | EP | disclosed |
| EP-1988078-A1 | Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders | Ortho-McNeil Pharmaceutical, Inc. (US) | 2008-11-05 | — | — | EP | disclosed |
| EP-0923555-B1 | CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-0923555-A1 | CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1997041102-A1 | CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-11-06 | — | — | WO | disclosed |