Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | SERPINE1 | P05121 | 4/20 | 0.43 |
| ▸ | TYR | P14679 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL163060 | 0.83 | LMNA (0.57) | L3MBTL1SERPINE1TYRCNR2ESR1 | |
| SCHEMBL162778 | 0.81 | ESR1 (0.64) | L3MBTL1SERPINE1CNR2ESR1AKR1C4 | |
| SCHEMBL163865 | 0.80 | CA12 (0.57) | L3MBTL1ESR1NPC1ALDH1A1MAPT | |
| SCHEMBL164016 | 0.77 | ALDH1A1 (0.51) | L3MBTL1SERPINE1TYRNPC1ALDH1A1 | |
| SCHEMBL2453973 | 0.77 | LMNA (0.62) | ESR1NPC1ALDH1A1 | |
| SCHEMBL161776 | 0.75 | LMNA (0.56) | L3MBTL1CNR2ALDH1A1MAPTHPGD | |
| SCHEMBL29036675 | 0.75 | KMT2A (0.50) | NPC1MAPT | |
| SCHEMBL2708103 | 0.75 | TSHR (0.52) | ESR1NPC1ALDH1A1MAPTHPGD | |
| SCHEMBL7308187 | 0.73 | MAPT (0.62) | NPC1ALDH1A1MAPTHPGD | |
| SCHEMBL10040379 | 0.73 | NQO2 (0.53) | ALDH1A1MAPTHPGD |
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-116410949-A | Madder 1, 4-dihydroxy-2-naphthoic acid isopentenyl transferase and encoding gene and application thereof | 中国中医科学院中药研究所 | 2023-07-11 | — | — | CN | disclosed |