Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 13/20 | 0.36 |
| ▸ | AVPR2 | P30518 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2547669 | 0.90 | AVPR1A (0.35) | AVPR1AAVPR2KCNH2CYP11B2CYP11B1 | |
| SCHEMBL2565303 | 0.89 | AVPR2 (0.33) | AVPR1AAVPR2 | |
| SCHEMBL2561816 | 0.88 | AVPR1A (0.36) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2475282 | 0.86 | AVPR1A (0.38) | AVPR1AAVPR2KCNH2CYP11B2CYP11B1 | |
| SCHEMBL2564607 | 0.85 | AVPR1A (0.35) | AVPR1ACYP11B2CYP11B1 | |
| SCHEMBL14844442 | 0.85 | AVPR1A (0.35) | AVPR1ACYP11B2CYP11B1 | |
| SCHEMBL2590577 | 0.84 | AVPR1A (0.32) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2566037 | 0.84 | AVPR2 (0.34) | AVPR2CYP11B2CYP11B1 | |
| SCHEMBL2552411 | 0.84 | AVPR1A (0.34) | AVPR1AKCNH2 | |
| SCHEMBL2577744 | 0.83 | OXTR (0.35) | AVPR1AAVPR2KCNH2 |
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-2560975-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2013-02-27 | — | — | EP | claimed |
| WO-2011131596-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-27 | — | — | WO | claimed |
| EP-2560975-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011131596-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-27 | — | — | WO | disclosed |