Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL5249462 | 0.91 | ALDH1A1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL8082951 | 0.77 | SIGMAR1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL28408596 | 0.77 | ALDH1A1 (0.44) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL5529047 | 0.77 | ALDH1A1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL5529055 | 0.77 | ALDH1A1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL8559690 | 0.74 | SIGMAR1 (0.52) | CES1MAOAMAOB | |
| SCHEMBL6602991 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL5003745 | 0.73 | TAAR1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL8375764 | 0.73 | MAOB (0.44) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL11243960 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HPGDALOX15ALOX12CASP1 |
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-115354350-A | Method for electrocatalytic in-situ nitration of halogenated aromatic hydrocarbon | 平顶山学院 | 2022-11-18 | — | — | CN | disclosed |