Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 19/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.42 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2566714 | 0.88 | AVPR1A (0.71) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL2541391 | 0.87 | AVPR1A (0.74) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL2541393 | 0.87 | AVPR1A (0.74) | AVPR1AKCNH2AVPR2 | |
| Hydrochloric Acid SCHEMBL2549355 | 0.86 | AVPR1A (0.73) | AVPR1AKCNH2AVPR2 | |
| Hydrochloric Acid SCHEMBL2549357 | 0.86 | AVPR1A (0.73) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL16767345 | 0.84 | AVPR1A (0.73) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL2560491 | 0.83 | AVPR1A (0.56) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL5102009 | 0.83 | AVPR1A (1.00) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL2565826 | 0.83 | AVPR1A (0.56) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL2563653 | 0.82 | AVPR1A (0.63) | AVPR1AKCNH2AVPR2 |
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 |