Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4681569 | 0.85 | MKNK1 (0.37) | MKNK1MKNK2CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL4681696 | 0.82 | TBXAS1 (0.37) | MKNK1MKNK2CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL4684862 | 0.80 | TBXAS1 (0.39) | MKNK1MKNK2CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL19219854 | 0.80 | CHRNB2 (0.39) | CYP2A6ALDH1A1CYP1A2CYP3A4SMN1; SMN2 | |
| SCHEMBL4684489 | 0.80 | ALDH1A1 (0.38) | CYP2A6ALDH1A1CYP1A2CYP3A4SMN1; SMN2 | |
| SCHEMBL4686200 | 0.79 | TBXAS1 (0.41) | MKNK1MKNK2CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL4682192 | 0.79 | TBXAS1 (0.41) | MKNK1MKNK2CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL11424590 | 0.78 | NAPRT (0.47) | MKNK1MKNK2ALDH1A1NAPRTAPP | |
| SCHEMBL4680532 | 0.78 | CHRNB2 (0.34) | MKNK1MKNK2CYP2A6SMN1; SMN2KDM4E | |
| SCHEMBL4681563 | 0.77 | CYP2A6 (0.35) | CYP2A6ALDH1A1CYP1A2CYP3A4THRB |
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 |