Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CPB1 | P15086 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL4684977 | 0.85 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2KMT2ALMNAHTT | |
| SCHEMBL24810085 | 0.83 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KMT2AADAM17LMNA | |
| SCHEMBL24351930 | 0.75 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2KMT2ALMNAHTT | |
| SCHEMBL7355004 | 0.70 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2KMT2ALMNAHTT | |
| SCHEMBL19919837 | 0.70 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KMT2ALMNAHTT | |
| SCHEMBL7360840 | 0.69 | TXNRD1 (0.35) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7299085 | 0.68 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KMT2ALMNAHTT | |
| SCHEMBL4680935 | 0.68 | MMP13 (0.41) | ALDH1A1KMT2APOLBMEN1 | |
| SCHEMBL14390959 | 0.67 | HRH3 (0.61) | ALDH1A1KMT2APKMLMNACPB2 | |
| SCHEMBL15906228 | 0.67 | HRH3 (0.61) | ALDH1A1KMT2APKMLMNACPB2 |
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 |