Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Glycerin SCHEMBL3630101 | 0.88 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTHTTKDM4E | |
| Glycerin SCHEMBL28301031 | 0.88 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTHTTKDM4E | |
| Glycerin SCHEMBL2058190 | 0.88 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTHTTKDM4E | |
| SCHEMBL4343843 | 0.86 | CYP2D6 (0.47) | ALDH1A1LMNAMAPTHTTKDM4E | |
| SCHEMBL4335282 | 0.86 | CYP2D6 (0.47) | ALDH1A1LMNAMAPTHTTKDM4E | |
| SCHEMBL6246422 | 0.84 | SMN1; SMN2 (0.40) | ALDH1A1LMNAMAPTHTTKDM4E | |
| Glycerin SCHEMBL11517976 | 0.83 | ALDH1A1 (0.43) | ALDH1A1LMNAMAPTHTTKDM4E | |
| SCHEMBL19067491 | 0.83 | STAT3 (0.39) | ALDH1A1LMNAMAPTHTTKDM4E | |
| SCHEMBL9813078 | 0.83 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL2057584 | 0.82 | THRB (0.43) | ALDH1A1LMNAMAPTHTTKDM4E |
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-112321446-A | Synthesis method of amide derivative | 华南理工大学 | 2021-02-05 | — | — | CN | disclosed |