Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 20/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.68 |
| ▸ | AVPR2 | P30518 | 6/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL3331544 | 0.94 | AVPR1A (0.76) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL3331550 | 0.94 | AVPR1A (0.76) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL3330990 | 0.93 | AVPR1A (0.62) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL2469534 | 0.93 | AVPR1A (0.62) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL3329662 | 0.88 | AVPR1A (0.80) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL2475500 | 0.88 | AVPR1A (0.80) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL15234269 | 0.87 | AVPR1A (0.61) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL11934674 | 0.87 | AVPR1A (0.61) | AVPR1AKCNH2AVPR2 | |
| Hydrochloric Acid SCHEMBL3330082 | 0.86 | AVPR1A (0.60) | AVPR1AKCNH2AVPR2 | |
| Hydrochloric Acid SCHEMBL2475011 | 0.86 | AVPR1A (0.60) | AVPR1AKCNH2AVPR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2370441-A1 | ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-10-05 | — | — | EP | claimed |