Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 3/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 11/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.38 |
| ▸ | TACR2 | P21452 | 3/20 | 0.37 |
| ▸ | TACR1 | P25103 | 3/20 | 0.37 |
| ▸ | TACR3 | P29371 | 3/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3086554 | 0.76 | ENPP2 (0.53) | AVPR1AENPP2OPRL1OPRM1 | |
| SCHEMBL3093900 | 0.75 | AVPR1A (0.65) | AVPR1AENPP2OPRL1OPRM1CACNA1G | |
| SCHEMBL3082472 | 0.66 | AVPR1A (1.00) | AVPR1A | |
| SCHEMBL825204 | 0.64 | AVPR1A (0.71) | AVPR1A | |
| SCHEMBL3093814 | 0.63 | AVPR1A (0.80) | AVPR1A | |
| SCHEMBL27194845 | 0.61 | CYP3A4 (0.51) | ENPP2OPRL1OPRM1TACR1OPRD1 | |
| SCHEMBL3098960 | 0.61 | ENPP2 (0.55) | AVPR1AENPP2 | |
| SCHEMBL5475636 | 0.61 | AVPR1A (0.74) | AVPR1A | |
| SCHEMBL3098756 | 0.60 | AVPR1A (0.75) | AVPR1A | |
| SCHEMBL614997 | 0.60 | AVPR1A (1.00) | AVPR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912976-A1 | INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007009906-A1 | INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-25 | — | — | WO | disclosed |