Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.68 |
| ▸ | TP53 | P04637 | 4/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.68 |
| ▸ | HPGD | P15428 | 7/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | CSNK2A2 | P19784 | 5/20 | 0.52 |
| ▸ | CSNK2B | P67870 | 5/20 | 0.52 |
| ▸ | CSNK2A1 | P68400 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL27883079 | 0.90 | ALDH1A1 (0.65) | CYP2C19ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL29129658 | 0.87 | HPGD (0.61) | CYP2C19ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL29169304 | 0.83 | CYP2C19 (0.67) | CYP2C19ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL4648917 | 0.81 | KDM4E (1.00) | CYP2C19ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL28292483 | 0.80 | AKR1C3 (0.59) | CYP2C19ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL29128894 | 0.79 | AR (0.73) | CYP2C19ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL27806529 | 0.79 | HPGD (0.67) | CYP2C19ALDH1A1KDM4ETP53HPGD | |
| SCHEMBL28182849 | 0.77 | ALDH1A1 (0.65) | CYP2C19ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL11035644 | 0.76 | HPGD (0.63) | CYP2C19ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL13730323 | 0.76 | KDM4E (0.90) | CYP2C19ALDH1A1KDM4ETP53HSD17B10 |
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 |