Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | MEN1 | O00255 | 3/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | HPGD | P15428 | 2/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | MAOA | P21397 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.51 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL31675993 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 | |
| SCHEMBL380906 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 | |
| SCHEMBL4649481 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 | |
| SCHEMBL9527473 | 0.77 | KDM4E (0.71) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 | |
| SCHEMBL31319016 | 0.77 | ABCG2 (0.60) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 | |
| SCHEMBL5178618 | 0.77 | ABCG2 (0.60) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 | |
| SCHEMBL9527476 | 0.75 | KDM4E (0.76) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 | |
| SCHEMBL31287497 | 0.75 | KDM4E (0.71) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 | |
| SCHEMBL15865400 | 0.75 | AR (0.47) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 | |
| SCHEMBL896578 | 0.74 | KDM4E (0.63) | KDM4ECYP3A4HSD17B10ALDH1A1MEN1 |
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-117269395-A | Construction method of qi fingerprint of agilawood and fingerprint thereof | 中国中医科学院中药研究所 | 2023-12-22 | — | — | CN | claimed |