Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4686133 | 0.88 | TSHR (0.55) | KDM4EPTGS2SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL7046945 | 0.84 | PTGS2 (0.57) | KDM4EPTGS2SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL2307800 | 0.82 | PTGS2 (0.55) | KDM4EPTGS2SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL4965033 | 0.82 | PTGS2 (0.55) | KDM4EPTGS2SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL499116 | 0.82 | GAA (0.61) | KDM4EPTGS2SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL7974807 | 0.81 | KMT2A (0.56) | PTGS2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL2272890 | 0.81 | PTGS2 (0.53) | KDM4EPTGS2SMN1; SMN2HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL4002124 | 0.81 | GAA (0.59) | KDM4EPTGS2SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL7131019 | 0.81 | KMT2A (0.58) | KDM4EPTGS2SMN1; SMN2L3MBTL1KMT2A | |
| SCHEMBL4240508 | 0.81 | PTGS2 (0.53) | KDM4EPTGS2SMN1; SMN2HTR2AHTR2C |
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 |