Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | EBP | Q15125 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7352416 | 0.95 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL7348513 | 0.94 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL7346946 | 0.91 | SIGMAR1 (0.43) | ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL7352719 | 0.84 | CARM1 (0.38) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 | |
| SCHEMBL14670200 | 0.76 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL38660913 | 0.76 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL30296953 | 0.76 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL155413 | 0.76 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL7017982 | 0.75 | MAOA (0.53) | ALDH1A1CYP2D6SIGMAR1DRD2DRD3 | |
| SCHEMBL7345538 | 0.72 | CYP2D6 (0.43) | ALDH1A1CYP1A2CYP2D6CYP2C19DRD2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0450097-B1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1996-04-24 | — | — | EP | claimed |
| US-5985869-A | USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1999-11-16 | — | — | US | disclosed |
| US-5753677-A | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5559230-A | VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| EP-0450097-B1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| EP-0450097-A1 | BENZOHETEROCYCLIC COMPOUNDS. | OTSUKA PHARMA CO LTD (JP) | 1991-10-09 | — | — | EP | disclosed |
| WO-1991005549-A1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | WO | disclosed |