Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PLK4 | O00444 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL904596 | 0.77 | ALDH1A1 (0.72) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR | |
| SCHEMBL14336338 | 0.75 | ALDH1A1 (0.54) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR | |
| SCHEMBL23999542 | 0.75 | MAPT (0.56) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR | |
| SCHEMBL17681355 | 0.75 | HPGD (0.56) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR | |
| SCHEMBL30423290 | 0.75 | KCNQ3 (0.54) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR | |
| SCHEMBL22212784 | 0.75 | CYP2C9 (0.50) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR | |
| SCHEMBL9480038 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR | |
| SCHEMBL7896372 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR | |
| SCHEMBL13663470 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR | |
| N,N'-Diphenyl-P-Phenylenediamine SCHEMBL42930 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ALOX12L3MBTL1TSHR |
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-111057021-B | S-triazine compound, preparation method and application thereof | 中国药科大学 | 2023-05-23 | — | — | CN | disclosed |