Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 9/20 | 0.55 |
| ▸ | AVPR2 | P30518 | 8/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | OXTR | P30559 | 8/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16774681 | 1.00 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL16774632 | 0.89 | AVPR2 (0.58) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2565562 | 0.89 | AVPR2 (0.58) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2539971 | 0.88 | OXTR (0.57) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2539967 | 0.88 | OXTR (0.57) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL16774773 | 0.88 | AVPR2 (0.57) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL16774775 | 0.88 | AVPR2 (0.57) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2544969 | 0.86 | AVPR1A (0.57) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2544968 | 0.86 | AVPR1A (0.57) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL16774700 | 0.86 | AVPR2 (0.59) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2560975-B1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2015-06-17 | — | — | EP | 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 |