Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3674499 | 0.84 | PTGS2 (0.69) | PTGS2AKR1C3AKR1C2BCL2PTGS1 | |
| SCHEMBL4682035 | 0.83 | PTGS2 (0.51) | PTGS2AKR1C3AKR1C2BCL2PTGS1 | |
| SCHEMBL11212803 | 0.81 | PTGS2 (0.43) | PTGS2AKR1C3AKR1C2BCL2MAPT | |
| SCHEMBL8329361 | 0.77 | CCR5 (0.49) | PTGS2AKR1C3AKR1C2SMN1; SMN2ALOX5 | |
| SCHEMBL18242301 | 0.76 | PTGS2 (0.46) | PTGS2AKR1C3AKR1C2BCL2MAPT | |
| SCHEMBL3919972 | 0.76 | PTGS2 (0.46) | PTGS2AKR1C3AKR1C2BCL2CYP3A4 | |
| SCHEMBL3919970 | 0.76 | PTGS2 (0.46) | PTGS2AKR1C3AKR1C2BCL2CYP3A4 | |
| SCHEMBL4681610 | 0.76 | AKR1C3 (0.52) | PTGS2AKR1C3AKR1C2PTGS1SMN1; SMN2 | |
| SCHEMBL14420087 | 0.75 | PTGS2 (0.45) | PTGS2AKR1C3AKR1C2BCL2PTGS1 | |
| SCHEMBL11873206 | 0.75 | PTGS2 (0.45) | PTGS2AKR1C3AKR1C2BCL2MAPT |
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-1902717-A2 | Vasopressin antagonist and oxytocin antagonist | Otsuka Pharmaceutical Company, Limited (JP) | 2008-03-26 | — | — | EP | disclosed |
| EP-0620003-B1 | VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST | OTSUKA PHARMA CO LTD (JP) | 2008-01-16 | — | — | EP | disclosed |
| US-5753644-A | Vasopressin antagonist and oxytocin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5622947-A | VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-04-22 | — | — | US | disclosed |
| EP-0514667-B1 | Benzazepin derivatives as vasopressin antagonists | OTSUKA PHARMA CO LTD (JP) | 1995-08-09 | — | — | EP | disclosed |
| EP-0620003-A1 | VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-10-19 | — | — | EP | disclosed |
| US-5244898-A | Vasopressin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-09-14 | — | — | US | disclosed |
| EP-0514667-A1 | Benzazepin derivatives as vasopressin antagonists | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-11-25 | — | — | EP | disclosed |