Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.30 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | GABRA4 | P48169 | 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 | |
|---|---|---|---|---|
| SCHEMBL4686854 | 0.83 | PKM (0.37) | HRH3HRH4ALDH1A1CYP3A4GABRA1 | |
| SCHEMBL4687343 | 0.70 | HRH4 (0.34) | HRH3HRH4ALDH1A1NFKB1 | |
| SCHEMBL7356553 | 0.68 | — | — | |
| SCHEMBL4682589 | 0.66 | POLB (0.31) | — | |
| SCHEMBL4687431 | 0.64 | HRH3 (0.66) | HRH3HRH4 | |
| SCHEMBL4684856 | 0.64 | TDP1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL4685858 | 0.64 | TBXAS1 (0.31) | — | |
| SCHEMBL4682728 | 0.64 | — | — | |
| SCHEMBL4685020 | 0.64 | POLB (0.30) | — | |
| SCHEMBL4684983 | 0.64 | POLB (0.30) | — |
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 |