Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL2564607 | 0.90 | AVPR1A (0.35) | AVPR1ACYP11B2 | |
| SCHEMBL2564920 | 0.89 | AVPR1A (0.35) | AVPR1ACYP11B2OPRK1PDE4D | |
| SCHEMBL2566668 | 0.86 | AVPR1A (0.33) | AVPR1ACYP11B2 | |
| SCHEMBL2567189 | 0.86 | AVPR1A (0.38) | AVPR1ACYP11B2OPRK1PDE4D | |
| SCHEMBL2567021 | 0.86 | AVPR1A (0.31) | AVPR1A | |
| Hydrochloric Acid SCHEMBL2563942 | 0.85 | AVPR1A (0.37) | AVPR1ACYP11B2OPRK1PDE4D | |
| SCHEMBL2588404 | 0.85 | AVPR1A (0.32) | AVPR1ACYP11B2 | |
| Hydrochloric Acid SCHEMBL2590527 | 0.85 | AVPR1A (0.31) | AVPR1A | |
| SCHEMBL2588294 | 0.85 | AVPR1A (0.31) | AVPR1A | |
| SCHEMBL2579842 | 0.85 | AVPR1A (0.31) | AVPR1A |
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 |