Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL17664828 | 0.84 | CYP3A4 (0.59) | ALDH1A1KMT2ACYP3A4PARP10MAPK1 | |
| SCHEMBL26107009 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KMT2APARP10RXRARXRB | |
| SCHEMBL29875598 | 0.77 | ALDH1A1 (0.73) | ALDH1A1KMT2ACYP3A4MAPK1MEN1 | |
| SCHEMBL2657806 | 0.77 | KMT2A (0.56) | ALDH1A1KMT2APARP10MEN1HPGD | |
| SCHEMBL539134 | 0.77 | ALDH1A1 (0.73) | ALDH1A1KMT2ACYP3A4MAPK1MEN1 | |
| SCHEMBL2126879 | 0.77 | POLB (0.64) | ALDH1A1KMT2ACYP3A4ACHEMAPK1 | |
| SCHEMBL29196800 | 0.76 | CYP3A4 (0.43) | ALDH1A1KMT2ACYP3A4ACHEMAPK1 | |
| SCHEMBL151012 | 0.75 | KMT2A (0.64) | ALDH1A1KMT2APARP10MEN1HPGD | |
| SCHEMBL17060010 | 0.75 | KMT2A (0.64) | ALDH1A1KMT2APARP10MEN1HPGD | |
| SCHEMBL743016 | 0.73 | MCL1 (0.59) | ALDH1A1KMT2APARP10ALOX15RXRA |
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-116283588-A | 4-alkoxy substituted 2, 6-dihydroxybenzoic acid right-embedded alcohol or fenchyl alcohol ester compound and pharmaceutical application thereof | 南京医科大学 | 2023-06-23 | — | — | CN | disclosed |