Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.55 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | IGF1R | P08069 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | QDPR | P09417 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.44 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.44 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.44 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.44 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.44 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8665462 | 0.89 | OXTR (0.55) | OXTRALDH1A1AVPR2AVPR1AHIF1A | |
| SCHEMBL7357692 | 0.85 | GPR119 (0.53) | ALDH1A1PDE4BCACNB4CACNA1ACACNA1G | |
| SCHEMBL12311795 | 0.84 | OXTR (0.50) | OXTRALDH1A1AVPR2AVPR1APDE4B | |
| SCHEMBL13362079 | 0.82 | OXTR (0.49) | OXTRALDH1A1AVPR2AVPR1APDE4B | |
| SCHEMBL12311796 | 0.81 | POLB (0.52) | OXTRALDH1A1AVPR2AVPR1APDE4B | |
| SCHEMBL8664983 | 0.79 | OXTR (0.57) | OXTRALDH1A1AVPR2AVPR1APDE4B | |
| SCHEMBL7399308 | 0.78 | OXTR (0.51) | OXTRALDH1A1AVPR2AVPR1AHIF1A | |
| SCHEMBL16991926 | 0.78 | HIF1A (0.46) | OXTRALDH1A1AVPR2AVPR1AHIF1A | |
| SCHEMBL8665303 | 0.78 | OXTR (0.56) | OXTRALDH1A1AVPR2AVPR1APDE4B | |
| SCHEMBL18310133 | 0.77 | GPR119 (0.54) | ALDH1A1PDE4BCACNB4CACNA1ACACNA1G |
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 |
|---|---|---|---|---|---|---|---|
| US-5756504-A | TREATMENT OF DYSMENORRHEA, PREVENTION OF PREMATURE LABOR | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0751773-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0751773-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1997-01-08 | — | — | EP | disclosed |
| US-5464788-A | Stopping labor | MERCK & CO., INC. (US) | 1995-11-07 | — | — | US | disclosed |
| WO-1995025443-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-09-28 | — | — | WO | disclosed |