Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16822385 | 0.83 | CYP1A2 (0.61) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL17083462 | 0.82 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL13851822 | 0.82 | ALDH1A1 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL30495899 | 0.80 | ALDH1A1 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2054216 | 0.80 | ALDH1A1 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL14241623 | 0.79 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29220468 | 0.79 | KDM4E (0.45) | CYP1A2ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL13851811 | 0.77 | ALDH1A1 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL13851815 | 0.77 | CRHBP (0.46) | CYP1A2ALDH1A1HSD17B10HPGDTSHR | |
| SCHEMBL15673310 | 0.77 | CYP1A2 (0.57) | CYP1A2ERBB2FYNMAOAACHE |
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-117820247-A | Aryl substituted halogenated s-triazine compound and preparation method thereof | 西安瑞联新材料股份有限公司 | 2024-04-05 | — | — | CN | disclosed |