Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 18/20 | 0.40 |
| ▸ | OXTR | P30559 | 12/20 | 0.37 |
| ▸ | AVPR2 | P30518 | 6/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1495956 | 0.94 | AVPR1A (0.40) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL12832107 | 0.94 | AVPR1A (0.40) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL2628294 | 0.92 | AVPR1A (0.39) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL8267002 | 0.90 | AVPR1A (0.39) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL1495942 | 0.90 | TP53 (0.39) | AVPR1AOXTRIDH1 | |
| SCHEMBL1495897 | 0.90 | AVPR1A (0.38) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL1495895 | 0.89 | AVPR1A (0.39) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL1496007 | 0.86 | AVPR1A (0.42) | AVPR1AOXTRAVPR2IDH1 | |
| SCHEMBL2131310 | 0.84 | GRIN2B (0.37) | AVPR1AOXTRAVPR2 | |
| SCHEMBL2628963 | 0.83 | AVPR1A (0.41) | AVPR1AOXTRAVPR2IDH1 |
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-1781661-B1 | VASOPRESSIN V1A ANTAGONISTS | VANTIA LTD (GB) | 2017-06-07 | — | — | EP | disclosed |
| EP-2292621-A1 | Vasopressin v1a antagonists | Vantia Limited (GB) | 2011-03-09 | — | — | EP | disclosed |