Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. 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 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL594198 | 0.98 | ALDH1A1 (0.55) | ALDH1A1KDM4ETDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL331216 | 0.88 | ALDH1A1 (0.63) | ALDH1A1KDM4ETDP1SMN1; SMN2LMNA | |
| SCHEMBL28743436 | 0.86 | L3MBTL1 (0.44) | ALDH1A1KDM4ETDP1L3MBTL1SMN1; SMN2 | |
| Water SCHEMBL29166908 | 0.85 | BCHE (0.47) | ALDH1A1KDM4ETDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL2149541 | 0.84 | BCHE (0.49) | ALDH1A1KDM4ETDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL331272 | 0.83 | ALDH1A1 (0.57) | ALDH1A1KDM4ETDP1L3MBTL1LMNA | |
| Diphenylmethane SCHEMBL9099741 | 0.83 | SMN1; SMN2 (0.54) | ALDH1A1KDM4ETDP1L3MBTL1SMN1; SMN2 | |
| Sulfuric Acid SCHEMBL229801 | 0.83 | KDM4E (0.65) | ALDH1A1KDM4ETDP1L3MBTL1SMN1; SMN2 | |
| Sulfuric Acid SCHEMBL229800 | 0.82 | KDM4E (0.71) | ALDH1A1KDM4ETDP1SMN1; SMN2LMNA | |
| SCHEMBL10719271 | 0.82 | MCHR1 (0.67) | ALDH1A1L3MBTL1SMN1; SMN2LMNAHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112552172-A | Method for synthesizing methyl cinnamate based on eutectic solvent catalyst | 华东理工大学 | 2021-03-26 | — | — | CN | claimed |
| CN-112552172-A | Method for synthesizing methyl cinnamate based on eutectic solvent catalyst | 华东理工大学 | 2021-03-26 | — | — | CN | disclosed |
| CN-112552172-A | Method for synthesizing methyl cinnamate based on eutectic solvent catalyst | 华东理工大学 | 2021-03-26 | — | — | CN | disclosed |