Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4682788 | 0.87 | NPC1 (0.47) | NPC1KMT2AMMP1ALDH1A1CYP3A4 | |
| SCHEMBL4681757 | 0.85 | NPC1 (0.46) | NPC1KMT2AMMP1ALDH1A1CYP3A4 | |
| SCHEMBL4685092 | 0.84 | NPC1 (0.45) | NPC1KMT2AMMP1ALDH1A1CYP3A4 | |
| SCHEMBL4687265 | 0.84 | NPC1 (0.45) | NPC1KMT2AMMP1ALDH1A1CYP3A4 | |
| SCHEMBL4686086 | 0.81 | KMT2A (0.44) | NPC1KMT2AMMP1ALDH1A1RAB9A | |
| SCHEMBL4682707 | 0.80 | CA2 (0.59) | NPC1KMT2AMMP1ALDH1A1CYP3A4 | |
| SCHEMBL6096854 | 0.80 | KMT2A (0.53) | NPC1KMT2AMMP1ALDH1A1CYP3A4 | |
| SCHEMBL3628991 | 0.79 | KMT2A (0.43) | NPC1KMT2AMMP1ALDH1A1RAB9A | |
| SCHEMBL2375552 | 0.79 | KMT2A (0.43) | NPC1KMT2AMMP1ALDH1A1RAB9A | |
| SCHEMBL14426918 | 0.77 | NPC1 (0.50) | NPC1KMT2AMMP1ALDH1A1CYP3A4 |
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 |