Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30108085 | 1.00 | ALDH1A1 (0.37) | ALDH1A1CYP1A2RAB9ASMN1; SMN2MAPK10 | |
| SCHEMBL28910372 | 1.00 | ALDH1A1 (0.37) | ALDH1A1CYP1A2RAB9ASMN1; SMN2MAPK10 | |
| SCHEMBL28524456 | 0.83 | MAPK10 (0.31) | ALDH1A1MAPK10 | |
| SCHEMBL30108086 | 0.83 | MAPK10 (0.31) | ALDH1A1MAPK10 | |
| SCHEMBL28515267 | 0.80 | TAAR1 (0.41) | ALDH1A1CYP1A2RAB9ASMN1; SMN2MAPT | |
| SCHEMBL28533467 | 0.68 | ALDH1A1 (0.36) | ALDH1A1CYP1A2RAB9ASMN1; SMN2MAPK10 | |
| SCHEMBL28528237 | 0.59 | TSHR (0.38) | ALDH1A1MAPT | |
| SCHEMBL11347865 | 0.53 | CXCL8 (0.55) | ALDH1A1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL1093774 | 0.52 | PTGES2 (0.51) | ALDH1A1CYP1A2 | |
| SCHEMBL2229840 | 0.52 | MAPT (0.49) | ALDH1A1CYP1A2MAPT |
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-112225733-B | Preparation method of 1,3, 4-thiadiazole pyridine-2-ketone derivative and application of derivative as anti-cancer drug | 湖南科技大学 | 2022-12-09 | — | — | CN | disclosed |