Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 19/20 | 0.61 |
| ▸ | OXTR | P30559 | 13/20 | 0.61 |
| ▸ | AVPR2 | P30518 | 7/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | TSPO | P30536 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2129142 | 0.93 | AVPR1A (0.61) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL2130122 | 0.90 | AVPR1A (0.74) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL2704574 | 0.87 | AVPR1A (0.57) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL2702943 | 0.86 | AVPR1A (0.59) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL2704572 | 0.84 | AVPR1A (0.53) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL2703256 | 0.84 | AVPR1A (0.53) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL2128652 | 0.83 | AVPR1A (0.53) | AVPR1AOXTRAVPR2CHRM2CHRM4 | |
| SCHEMBL30045802 | 0.83 | AVPR1A (0.60) | AVPR1AOXTRAVPR2TSPO | |
| SCHEMBL30045753 | 0.83 | AVPR1A (0.60) | AVPR1AOXTRAVPR2TSPO | |
| SCHEMBL5570643 | 0.81 | AVPR1A (0.65) | AVPR1AOXTRAVPR2CHRM2CHRM4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2256119-B1 | Vasopressin V1a antagonists | VANTIA LTD (GB) | 2012-05-09 | — | — | EP | claimed |