Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TLR4 | O00206 | 1/20 | 0.49 |
| ▸ | TLR2 | O60603 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.47 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4397448 | 0.85 | TSHR (0.63) | PLA2G4BTSHRTLR4TLR2LTA4H | |
| SCHEMBL3199098 | 0.84 | CYP2D6 (0.53) | PLA2G4BCYP2D6 | |
| SCHEMBL5252586 | 0.82 | NR5A1 (0.59) | PLA2G4BTSHRLTA4H | |
| 1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 | 0.81 | TSHR (0.59) | PLA2G4BTSHRTLR4TLR2LTA4H | |
| SCHEMBL7350178 | 0.81 | PPARA (0.58) | PLA2G4BTSHRCYP2D6 | |
| SCHEMBL5257647 | 0.81 | PPARA (0.54) | PLA2G4BTSHRCYP2D6 | |
| SCHEMBL7344071 | 0.80 | NR5A1 (0.56) | PLA2G4BTSHRLTA4H | |
| SCHEMBL3207718 | 0.80 | GGPS1 (0.50) | PLA2G4BTSHRTLR4TLR2LTA4H | |
| SCHEMBL9487103 | 0.80 | LTA4H (0.68) | PLA2G4BTSHRTLR4TLR2LTA4H | |
| 1-Butyloxy-3-Ethoxybenzene SCHEMBL3459049 | 0.80 | MAPK1 (0.62) | PLA2G4BTSHRTLR4TLR2LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| 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 |