Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 5/20 | 0.40 |
| ▸ | OXTR | P30559 | 5/20 | 0.40 |
| ▸ | AVPR2 | P30518 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2565904 | 0.90 | AVPR2 (0.37) | AVPR1AOXTRAVPR2KCNH2DDB1 | |
| SCHEMBL2559351 | 0.90 | GPR119 (0.35) | AVPR1AOXTRDDB1CRBNGPR119 | |
| SCHEMBL2579657 | 0.88 | OXTR (0.36) | AVPR1AOXTRAVPR2KCNH2DDB1 | |
| SCHEMBL2580300 | 0.87 | OXTR (0.36) | AVPR1AOXTRAVPR2KCNH2DDB1 | |
| SCHEMBL2577034 | 0.87 | POLB (0.38) | AVPR1AOXTRAVPR2KCNH2DDB1 | |
| SCHEMBL2565485 | 0.87 | FNTA (0.37) | AVPR1AOXTRAVPR2KCNH2DDB1 | |
| SCHEMBL2550063 | 0.86 | NAMPT (0.40) | AVPR1AOXTRAVPR2KCNH2DDB1 | |
| SCHEMBL2577744 | 0.86 | OXTR (0.35) | AVPR1AOXTRAVPR2KCNH2DDB1 | |
| SCHEMBL2579958 | 0.85 | OXTR (0.34) | AVPR1AOXTRDDB1CRBNGPR119 | |
| SCHEMBL2580235 | 0.85 | OXTR (0.34) | AVPR1AOXTRAVPR2DDB1CRBN |
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 |