Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL4680532 | 0.84 | CHRNB2 (0.34) | TBXAS1CYP2A6CHRNB2CHRNA4SMN1; SMN2 | |
| SCHEMBL4681108 | 0.80 | CYP3A4 (0.31) | CYP3A4CYP2C19 | |
| SCHEMBL4684489 | 0.78 | ALDH1A1 (0.38) | CYP3A4CYP2A6ELANECYP2E1CYP2C9 | |
| SCHEMBL4681563 | 0.75 | CYP2A6 (0.35) | CYP3A4CYP2A6ELANECYP2E1CYP2C9 | |
| SCHEMBL19219854 | 0.74 | CHRNB2 (0.39) | CYP3A4CYP2A6ELANECYP2E1CYP2C9 | |
| SCHEMBL4681692 | 0.72 | CYP2A6 (0.33) | TBXAS1CYP3A4CYP2A6ELANECYP2E1 | |
| SCHEMBL19091523 | 0.71 | TDP1 (0.44) | CYP3A4CYP2A6ELANECYP2E1CYP2C9 | |
| SCHEMBL7351523 | 0.71 | — | — | |
| SCHEMBL4681770 | 0.71 | CYP3A4 (0.34) | CYP3A4CYP2A6ELANECYP2E1CYP2C9 | |
| SCHEMBL4684856 | 0.71 | TDP1 (0.33) | TBXAS1CYP3A4CYP2A6ELANELMNA |
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 |