Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | RARG | P13631 | 1/20 | 0.40 |
| ▸ | GCK | P35557 | 1/20 | 0.40 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12153745 | 0.82 | TARBP2 (0.43) | CYP3A4NR1H4FFAR1MEN1ALDH1A1 | |
| SCHEMBL29196803 | 0.79 | SLC5A1 (0.50) | CYP3A4ACHEPTPN1PTPN11MEN1 | |
| SCHEMBL4276418 | 0.78 | PLA2G2A (0.54) | NR1H4MEN1HPGDMAPK1KMT2A | |
| SCHEMBL17060023 | 0.78 | NR1H4 (0.54) | NR1H4MEN1HPGDMAPK1KMT2A | |
| SCHEMBL29196801 | 0.76 | ALDH1A1 (0.52) | CYP3A4ACHEPTPN1PTPN11MEN1 | |
| SCHEMBL2126879 | 0.72 | POLB (0.64) | CYP3A4ACHEMEN1ALDH1A1HPGD | |
| SCHEMBL13703965 | 0.72 | CA5A (0.52) | NR1H4ALDH1A1RARARARBRARG | |
| SCHEMBL14812140 | 0.72 | RARA (0.49) | NR1H4MEN1KMT2ARARARARB | |
| SCHEMBL27584673 | 0.72 | TPMT (0.52) | NR1H4MEN1MAPK1KMT2AXDH | |
| SCHEMBL339174 | 0.72 | PDK2 (0.50) | MEN1ALDH1A1HPGDKMT2AXDH |
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 |