Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 2/20 | 0.32 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.31 |
| ▸ | OXTR | P30559 | 2/20 | 0.30 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL2564697 | 0.90 | AVPR1A (0.31) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL2574746 | 0.89 | OXTR (0.34) | AVPR1AKCNH2HTR1ADRD2DRD4 | |
| SCHEMBL2564864 | 0.84 | AVPR2 (0.37) | AVPR1AKCNH2AVPR2OXTR | |
| SCHEMBL2556524 | 0.83 | CYP11B2 (0.32) | AVPR1AKCNH2AVPR2 | |
| SCHEMBL2560109 | 0.82 | — | — | |
| SCHEMBL2549529 | 0.81 | AVPR2 (0.35) | AVPR1AKCNH2AVPR2OXTR | |
| SCHEMBL2580300 | 0.81 | OXTR (0.36) | AVPR1AKCNH2AVPR2MAP3K5OXTR | |
| SCHEMBL2579958 | 0.80 | OXTR (0.34) | AVPR1AMAP3K5OXTR | |
| SCHEMBL2347000 | 0.80 | AVPR2 (0.31) | AVPR1AAVPR2OXTR | |
| SCHEMBL2578304 | 0.80 | MAP3K5 (0.34) | AVPR1AMAP3K5OXTR |
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 |