Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 15/20 | 0.53 |
| ▸ | AVPR2 | P30518 | 8/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.53 |
| ▸ | OXTR | P30559 | 5/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15234159 | 1.00 | AVPR1A (0.53) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2476460 | 0.92 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2476459 | 0.92 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL15234203 | 0.91 | AVPR1A (0.56) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL15234246 | 0.90 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL15234244 | 0.90 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL3379061 | 0.90 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL15233987 | 0.89 | AVPR1A (0.59) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL15234146 | 0.89 | AVPR1A (0.59) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL3337024 | 0.88 | AVPR1A (0.66) | AVPR1AAVPR2KCNH2OXTR |
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-B1 | ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-09-11 | — | — | EP | claimed |
| WO-2010060836-A1 | ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-03 | — | — | WO | disclosed |