Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 5/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28869838 | 0.85 | PDPK1 (0.45) | KMT2ARAB9ASMN1; SMN2CYP1A2MAPK10 | |
| SCHEMBL28957164 | 0.84 | SMN1; SMN2 (0.54) | KMT2ARAB9ASMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL4674384 | 0.78 | PTGS2 (0.42) | KMT2ARAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL1114989 | 0.78 | KMT2A (0.42) | KMT2ASMN1; SMN2PTGS1ALDH1A1 | |
| SCHEMBL5865561 | 0.77 | PTGS1 (0.42) | KMT2ASMN1; SMN2PTGS1ALDH1A1 | |
| SCHEMBL1115174 | 0.77 | HSD11B1 (0.39) | KMT2ARAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL4674149 | 0.76 | PDPK1 (0.69) | CYP3A4CYP2C9PTGS1PDPK1 | |
| SCHEMBL4671357 | 0.76 | PDPK1 (0.54) | CYP2C9PTGS1PDPK1 | |
| SCHEMBL1115160 | 0.76 | PTGS2 (0.45) | KMT2ARAB9APTGS1 | |
| SCHEMBL5865454 | 0.75 | PTGS2 (0.62) | CYP2C9PTGS1 |
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-115093373-A | 1, 5-disubstituted-3-fluoroalkyl-1, 2, 4-triazole compound and preparation method and application thereof | 江苏省中国科学院植物研究所 | 2022-09-23 | — | — | CN | disclosed |