Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.51 |
| ▸ | MAOB | P27338 | 4/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | PTGIR | P43119 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22288286 | 0.94 | MAOA (0.53) | MAOAMAOBARPTGIRCYP1A2 | |
| SCHEMBL23323158 | 0.92 | MAOA (0.51) | MAOAMAOBARCYP1A2GRM5 | |
| SCHEMBL22288156 | 0.84 | MAOA (0.47) | MAOAMAOBCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL8956123 | 0.80 | MAOA (0.77) | MAOAMAOBARPTGIRCASP1 | |
| SCHEMBL19890876 | 0.78 | MAOA (0.55) | MAOAMAOBARPTGIRCYP1A2 | |
| SCHEMBL8955927 | 0.77 | MAOA (0.76) | MAOAMAOBARPTGIRCYP1A2 | |
| SCHEMBL8955041 | 0.77 | MAOA (0.52) | MAOAMAOBARPTGIR | |
| SCHEMBL10446206 | 0.76 | TXN (0.45) | MAOAMAOBTDP1FAAHEPHX1 | |
| SCHEMBL6181094 | 0.76 | SLC6A4 (0.47) | MAOAMAOBCYP1A2SLC6A4SLC6A3 | |
| SCHEMBL15270965 | 0.76 | MAOA (0.57) | MAOAMAOBPTGIRALDH1A1ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111517902-B | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-111517902-A | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2020-08-11 | — | — | CN | disclosed |