Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.35 |
| ▸ | GCGR | P47871 | 2/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28476983 | 0.89 | ADORA3 (0.35) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28655309 | 0.83 | NPC1 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL28653098 | 0.83 | CYP1A2 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL28650363 | 0.83 | ALOX5 (0.37) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL435137 | 0.83 | CYP1A2 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL28661674 | 0.83 | NPC1 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL28650268 | 0.83 | ALOX5 (0.37) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28650037 | 0.79 | TP53 (0.39) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28661681 | 0.79 | KIF11 (0.52) | ALDH1A1DGAT1MAPK13MAPK12MAPK11 | |
| SCHEMBL28647365 | 0.79 | KIF11 (0.52) | ALDH1A1DGAT1MAPK13MAPK12MAPK11 |
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-111233783-B | Synthetic method of isothiazol-4-yl disulfide derivative | 温州大学 | 2021-11-16 | — | — | CN | disclosed |
| CN-111233783-A | Synthesis method of bithiazole-4-yl disulfide derivative | 温州大学 | 2020-06-05 | — | — | CN | disclosed |