Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | STAT5B | P51692 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15932248 | 0.82 | MEN1 (0.54) | ALDH1A1MEN1KMT2ACYP2C9CYP1A2 | |
| SCHEMBL4686234 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ACYP2C9CYP1A2 | |
| SCHEMBL21111103 | 0.75 | MEN1 (0.46) | ALDH1A1MEN1KMT2ACYP2C9CYP1A2 | |
| SCHEMBL13081021 | 0.72 | MEN1 (0.39) | ALDH1A1MEN1KMT2ACYP2C9CYP1A2 | |
| SCHEMBL4551571 | 0.71 | MEN1 (0.42) | ALDH1A1MEN1KMT2ATP53STAT5B | |
| SCHEMBL6197297 | 0.70 | MEN1 (0.37) | ALDH1A1MEN1KMT2A | |
| SCHEMBL6198975 | 0.69 | MEN1 (0.36) | ALDH1A1MEN1KMT2A | |
| SCHEMBL2058444 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL28914391 | 0.69 | — | — | |
| SCHEMBL21111121 | 0.68 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2ACYP2C9CYP1A2 |
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 |