Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 12/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | TTK | P33981 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30740844 | 0.82 | PARP1 (0.44) | PARP1HCRTR1HCRTR2CYP3A4DPP4 | |
| SCHEMBL22034309 | 0.79 | PARP1 (0.49) | PARP1HCRTR1HCRTR2CYP3A4TBK1 | |
| SCHEMBL873311 | 0.77 | DPP4 (0.50) | PARP1HCRTR1HCRTR2CYP3A4DPP4 | |
| SCHEMBL874327 | 0.76 | PARP1 (0.56) | PARP1HCRTR1HCRTR2CYP3A4DPP4 | |
| SCHEMBL4315846 | 0.76 | PARP1 (0.55) | PARP1HCRTR1HCRTR2CYP3A4DPP4 | |
| SCHEMBL6132823 | 0.74 | PARP1 (0.56) | PARP1HCRTR1HCRTR2CYP3A4DPP4 | |
| SCHEMBL5359873 | 0.74 | PARP1 (0.55) | PARP1DPP4NPSR1 | |
| SCHEMBL30199984 | 0.73 | CDK2 (0.49) | TBK1TTKAURKACDK2TP53 | |
| SCHEMBL22034262 | 0.73 | PARP1 (0.54) | PARP1HCRTR1HCRTR2CYP3A4DPP4 | |
| SCHEMBL5363650 | 0.72 | PARP1 (0.54) | PARP1HCRTR1HCRTR2CYP3A4DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117043154-A | GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof | 卡莫特医疗有限公司 | 2023-11-10 | — | — | CN | disclosed |