Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2563942 | 0.99 | AVPR1A (0.37) | AVPR1AHSD11B1CYP11B2OPRK1PDE4D | |
| SCHEMBL2564920 | 0.90 | AVPR1A (0.35) | AVPR1ACYP11B2OPRK1PDE4D | |
| Hydrochloric Acid SCHEMBL2566705 | 0.89 | CYP11B2 (0.33) | AVPR1ACYP11B2 | |
| SCHEMBL2565830 | 0.88 | AVPR1A (0.35) | AVPR1AOPRK1PDE4D | |
| SCHEMBL2563321 | 0.88 | CYP11B2 (0.34) | AVPR1ACYP11B2 | |
| Hydrochloric Acid SCHEMBL2551680 | 0.87 | OPRK1 (0.34) | AVPR1ACYP11B2OPRK1PDE4D | |
| SCHEMBL2559684 | 0.86 | AVPR1A (0.35) | AVPR1ACYP11B2OPRK1PDE4D | |
| SCHEMBL2559146 | 0.86 | AVPR1A (0.30) | AVPR1AOPRK1PDE4D | |
| SCHEMBL2559972 | 0.86 | AVPR1A (0.33) | AVPR1A | |
| SCHEMBL2563390 | 0.85 | — | — |
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 |