Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | AVPR2 | P30518 | 7/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | LOX | P28300 | 1/20 | 0.34 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7336774 | 0.91 | SLC6A9 (0.36) | ALDH1A1AVPR2P2RX7AVPR1AOXTR | |
| SCHEMBL4682740 | 0.88 | ALDH1A1 (0.43) | ALDH1A1AVPR2P2RX7AVPR1A | |
| SCHEMBL8633381 | 0.84 | ALDH1A1 (0.39) | ALDH1A1AVPR2P2RX7AVPR1AKCNK3 | |
| SCHEMBL7343891 | 0.81 | AVPR2 (0.42) | ALDH1A1AVPR2P2RX7AVPR1AOXTR | |
| SCHEMBL7344728 | 0.79 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL8634397 | 0.73 | WDR5 (0.41) | ALDH1A1AVPR2AVPR1AKCNK3GAA | |
| SCHEMBL8631703 | 0.72 | KCNK3 (0.33) | ALDH1A1P2RX7KCNK3GAASCN9A | |
| SCHEMBL4685307 | 0.71 | AVPR2 (0.45) | ALDH1A1AVPR2 | |
| SCHEMBL7336618 | 0.71 | PKM (0.42) | ALDH1A1AVPR2AVPR1A | |
| SCHEMBL4688323 | 0.71 | AVPR2 (0.44) | ALDH1A1AVPR2AVPR1ASCN9A |
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 4 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 |
| 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 |
| US-5244898-A | Vasopressin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-09-14 | — | — | US | disclosed |