Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.57 |
| ▸ | PPARD | Q03181 | 2/20 | 0.57 |
| ▸ | PPARA | Q07869 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | CFTR | P13569 | 1/20 | 0.53 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.51 |
| ▸ | KLK1 | P06870 | 2/20 | 0.51 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.47 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.47 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.47 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21396417 | 0.77 | KDM4E (0.67) | CFTRNAPEPLDNPC1RAB9A | |
| SCHEMBL2755879 | 0.76 | ERCC1 (0.58) | L3MBTL1KMT2AHDAC1KDM1AERCC1 | |
| SCHEMBL21396314 | 0.76 | NPC1 (0.53) | L3MBTL1CFTRACE2HDAC1KDM1A | |
| SCHEMBL21396482 | 0.75 | NPC1 (0.48) | CFTRKLKB1KLK1ACE2HDAC1 | |
| SCHEMBL21396331 | 0.75 | ALDH1A1 (0.61) | CFTRHDAC1KDM1ANAPEPLDNPC1 | |
| SCHEMBL4693476 | 0.74 | PPARG (1.00) | PPARGPPARDPPARA | |
| SCHEMBL21702506 | 0.73 | L3MBTL1 (0.52) | L3MBTL1KMT2AHDAC1BAZ2BHDAC6 | |
| SCHEMBL21396318 | 0.72 | MAPK1 (0.51) | PPARGPPARDPPARACFTRHDAC1 | |
| SCHEMBL9587376 | 0.72 | L3MBTL1 (0.53) | L3MBTL1BAZ2B | |
| SCHEMBL5484651 | 0.71 | KMT2A (0.67) | L3MBTL1ACE2KMT2AERCC1ERCC4 |
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-116631645-A | Method for analyzing potential pharmacodynamic substance basis of traditional Chinese medicine compound recipe for soothing liver and strengthening spleen based on network pharmacology and high-resolution mass spectrometry | 济宁市第一人民医院 | 2023-08-22 | — | — | CN | disclosed |