Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 1/20 | 0.49 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 3/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4499194 | 0.82 | AVPR2 (0.55) | AVPR2AVPR1ATP53CNR1GAA | |
| SCHEMBL8237067 | 0.78 | TSHR (0.54) | AVPR2AVPR1ATP53CNR1GAA | |
| SCHEMBL27944655 | 0.78 | AVPR2 (0.49) | AVPR2AVPR1ATP53CNR1GAA | |
| SCHEMBL4502064 | 0.78 | AVPR2 (0.49) | AVPR2AVPR1ATP53CNR1GAA | |
| SCHEMBL6930069 | 0.78 | AVPR2 (0.51) | AVPR2AVPR1ATP53CNR1GAA | |
| SCHEMBL18808535 | 0.77 | AVPR2 (0.55) | AVPR2AVPR1ATP53CNR1GAA | |
| SCHEMBL2435199 | 0.72 | GAA (0.64) | AVPR2AVPR1ATP53GAAGFER | |
| SCHEMBL29670548 | 0.72 | GAA (0.52) | AVPR2AVPR1ATP53GAAGFER | |
| SCHEMBL6927916 | 0.70 | AVPR2 (0.48) | AVPR2AVPR1ATP53CNR1GAA | |
| SCHEMBL2442827 | 0.69 | AVPR2 (0.78) | AVPR2AVPR1ATP53GAAGFER |
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 |
|---|---|---|---|---|---|---|---|
| CN-101495458-B | Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors | BAYER IP GMBH | 2014-01-29 | — | — | CN | disclosed |
| CN-101495458-A | Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors | BAYER HEALTHCARE AG (DE) | 2009-07-29 | — | — | CN | disclosed |