Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.31 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL14832404 | 0.89 | AVPR1A (0.41) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2472708 | 0.86 | CYP11B2 (0.33) | CYP11B2NAAAEPHX2 | |
| SCHEMBL2473757 | 0.79 | GPR119 (0.34) | AVPR1AEPHX2 | |
| SCHEMBL14844442 | 0.76 | AVPR1A (0.35) | CYP11B2AVPR1A | |
| SCHEMBL14844175 | 0.75 | — | — | |
| SCHEMBL2474933 | 0.75 | AVPR1A (0.39) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL14844410 | 0.75 | — | — | |
| SCHEMBL2471774 | 0.74 | CYP11B2 (0.30) | CYP11B2 | |
| Hydrochloric Acid SCHEMBL2472336 | 0.73 | — | — | |
| SCHEMBL14844475 | 0.73 | AVPR1A (0.42) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2760871-A1 | OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-06 | — | — | EP | claimed |
| WO-2013045373-A1 | OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-04 | — | — | WO | claimed |
| EP-2760871-A1 | OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013045373-A1 | OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-04 | — | — | WO | disclosed |