Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4684799 | 0.84 | TRPA1 (0.35) | KDM4EALDH1A1CYP1A2CYP2C19MEN1 | |
| SCHEMBL7351523 | 0.80 | — | — | |
| SCHEMBL4687366 | 0.77 | HDAC8 (0.38) | KDM4ESMN1; SMN2ALDH1A1CYP1A2HDAC8 | |
| SCHEMBL4685181 | 0.74 | HDAC8 (0.35) | KDM4ESMN1; SMN2ALDH1A1CYP1A2HDAC8 | |
| SCHEMBL7531002 | 0.73 | KDM4E (0.36) | KDM4ESMN1; SMN2ALDH1A1CYP1A2HDAC8 | |
| SCHEMBL4681108 | 0.71 | CYP3A4 (0.31) | CYP2C19 | |
| SCHEMBL4681960 | 0.71 | HDAC8 (0.33) | KDM4ESMN1; SMN2CYP1A2HDAC8 | |
| SCHEMBL8778184 | 0.70 | KCNA5 (0.36) | KDM4ESMN1; SMN2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4684832 | 0.70 | ALDH1A1 (0.33) | KDM4ESMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL4685253 | 0.70 | HDAC8 (0.32) | KDM4ECYP1A2HDAC8 |
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-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-0620003-A1 | VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-10-19 | — | — | EP | disclosed |