Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 12/20 | 0.48 |
| ▸ | AVPR2 | P30518 | 7/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | OXTR | P30559 | 7/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2541432 | 0.91 | AVPR2 (0.50) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2541433 | 0.91 | AVPR2 (0.50) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2539953 | 0.90 | AVPR2 (0.59) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2539951 | 0.90 | AVPR2 (0.59) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2544313 | 0.90 | AVPR2 (0.59) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2580824 | 0.90 | AVPR1A (0.50) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2573797 | 0.89 | AVPR2 (0.44) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2578240 | 0.88 | AVPR1A (0.50) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2582650 | 0.86 | AVPR1A (0.51) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2594101 | 0.85 | AVPR1A (0.44) | 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-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 |