Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.52 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.52 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 2/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28490384 | 1.00 | LMNA (0.52) | LMNAADRA2AADRA2CHIF1AKDM4E | |
| Acetic Acid SCHEMBL432495 | 1.00 | LMNA (0.52) | LMNAADRA2AADRA2CHIF1AKDM4E | |
| Acetone SCHEMBL27900518 | 0.95 | LMNA (0.52) | LMNAADRA2AADRA2CHIF1AKDM4E | |
| Bicarbonate SCHEMBL27964415 | 0.93 | LMNA (0.54) | LMNAADRA2AADRA2CHIF1AKDM4E | |
| Acetic Acid SCHEMBL28308262 | 0.92 | ALOX5 (0.47) | LMNAADRA2AADRA2CHIF1AKDM4E | |
| Oxalic Acid SCHEMBL28194607 | 0.91 | LMNA (0.52) | LMNAADRA2AADRA2CHIF1AKDM4E | |
| Acetic Acid SCHEMBL27882320 | 0.89 | ADRA2A (0.47) | LMNAADRA2AADRA2CHIF1AKDM4E | |
| Methyl Alcohol SCHEMBL5316422 | 0.87 | ADRA2A (0.58) | LMNAADRA2AADRA2CHIF1AKDM4E | |
| SCHEMBL24932018 | 0.87 | DPP4 (0.58) | LMNAADRA2AADRA2CHIF1AKDM4E | |
| SCHEMBL5565016 | 0.87 | DPP4 (0.58) | LMNAADRA2AADRA2CHIF1AKDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104530076-A | Synthetic method of (3aS, 6aR)-1, 3-dibenzyl tetrahydro-4H-thieno[3, 4-d]imidazole-2, 4-(1H)-dione | XINFA PHARMACEUTICAL CO LTD | 2015-04-22 | — | — | CN | claimed |
| CN-101973890-B | Method for preparing and synthesizing chiral (R)-alpha-phenylethylamine acetate | LUO MEI | 2013-03-20 | — | — | CN | claimed |
| CN-104530076-A | Synthetic method of (3aS, 6aR)-1, 3-dibenzyl tetrahydro-4H-thieno[3, 4-d]imidazole-2, 4-(1H)-dione | XINFA PHARMACEUTICAL CO LTD | 2015-04-22 | — | — | CN | disclosed |
| CN-101973890-B | Method for preparing and synthesizing chiral (R)-alpha-phenylethylamine acetate | LUO MEI | 2013-03-20 | — | — | CN | disclosed |
| CN-101973890-B | Method for preparing and synthesizing chiral (R)-alpha-phenylethylamine acetate | LUO MEI | 2013-03-20 | — | — | CN | disclosed |
| CN-101973890-B | Method for preparing and synthesizing chiral (R)-alpha-phenylethylamine acetate | LUO MEI | 2013-03-20 | — | — | CN | disclosed |
| CN-101973890-A | Method for preparing and synthesizing chiral (R)-alpha-phenylethylamine acetate | MEI LUO | 2011-02-16 | — | — | CN | disclosed |
| CN-101973890-A | Method for preparing and synthesizing chiral (R)-alpha-phenylethylamine acetate | MEI LUO | 2011-02-16 | — | — | CN | disclosed |