Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 3/20 | 0.57 |
| ▸ | HTR2B | P41595 | 4/20 | 0.56 |
| ▸ | HTR3A | P46098 | 1/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | PDE5A | O76074 | 2/20 | 0.48 |
| ▸ | STS | P08842 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.42 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29129648 | 1.00 | PPARG (0.57) | PPARGHTR2BHTR3ADAOPDE5A | |
| SCHEMBL28489823 | 0.86 | PPARG (0.55) | PPARGHTR2BHTR3ADAOPDE5A | |
| SCHEMBL30739471 | 0.83 | PDE5A (0.56) | PPARGHTR2BPDE5AMAPTSLC5A1 | |
| SCHEMBL29128891 | 0.83 | PDE5A (0.56) | PPARGHTR2BPDE5AMAPTSLC5A1 | |
| SCHEMBL30335890 | 0.79 | PPARG (0.71) | PPARGHTR2BHTR3ADAOSTS | |
| SCHEMBL27806527 | 0.79 | PPARG (0.71) | PPARGHTR2BHTR3ADAOSTS | |
| SCHEMBL29128886 | 0.79 | CYP19A1 (0.50) | PDE5AGAAMAPT | |
| SCHEMBL30800375 | 0.79 | CYP19A1 (0.50) | PDE5AGAAMAPT | |
| SCHEMBL16983575 | 0.77 | HTR2B (0.70) | PPARGHTR2BHTR3ADAO | |
| SCHEMBL29638058 | 0.77 | PPARG (0.68) | PPARGHTR2BHTR3ADAOPDE5A |
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-117250298-A | Construction method of liquid fingerprint of agilawood and fingerprint thereof | 中国中医科学院中药研究所 | 2023-12-19 | — | — | CN | claimed |
| CN-117250298-A | Construction method of liquid fingerprint of agilawood and fingerprint thereof | 中国中医科学院中药研究所 | 2023-12-19 | — | — | CN | disclosed |