Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 5/20 | 0.38 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2472145 | 0.87 | AVPR2 (0.34) | AVPR1AAVPR2KCNH2TYRO3 | |
| SCHEMBL2563008 | 0.86 | AVPR1A (0.36) | AVPR1AAVPR2KCNH2CYP11B1CYP11B2 | |
| SCHEMBL2472214 | 0.86 | AVPR1A (0.32) | AVPR1ATYRO3CYP11B1CYP11B2 | |
| SCHEMBL2346991 | 0.82 | SLC6A4 (0.32) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2336166 | 0.81 | AVPR1A (0.31) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2472826 | 0.80 | AVPR1A (0.39) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2341614 | 0.80 | AVPR2 (0.32) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2339933 | 0.80 | IDH1 (0.31) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2561816 | 0.78 | AVPR1A (0.36) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2552411 | 0.77 | AVPR1A (0.34) | AVPR1AKCNH2 |
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-2370441-A1 | ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010060836-A1 | ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-03 | — | — | WO | disclosed |