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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2089546 | 0.88 | CALM1 (0.57) | PTGS1PTGS2LTA4HCALM1SLC6A2 | |
| SCHEMBL25364878 | 0.77 | CYP2E1 (0.54) | LMNAPTGS1PTGS2LTA4HCALM1 | |
| SCHEMBL9357255 | 0.77 | TAAR1 (0.56) | PTGS1PTGS2LTA4HSLC6A2SLC6A3 | |
| SCHEMBL27968336 | 0.72 | DRD2 (0.44) | PTGS1PTGS2LTA4HL3MBTL1IDH1 | |
| SCHEMBL20751464 | 0.72 | IDH1 (0.46) | PTGS1PTGS2LTA4HL3MBTL1IDH1 | |
| SCHEMBL5652167 | 0.72 | ESR1 (0.61) | PTGS1PTGS2LTA4HOPRM1OPRD1 | |
| SCHEMBL8075617 | 0.72 | — | — | |
| Diphenylmethane SCHEMBL28052392 | 0.72 | LMNA (0.59) | LMNAPTGS1LTA4HCALM1PLA2G10 | |
| Diphenylmethane SCHEMBL5607610 | 0.72 | CALM1 (0.75) | LMNACALM1PLA2G10PLA2G2AIDH1 | |
| Diphenylmethane SCHEMBL8658678 | 0.72 | CALM1 (0.75) | LMNACALM1PLA2G10PLA2G2AIDH1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1616432-A | Compound,its use and pharmaceutical compositions comprising same | ELAN PHARM INC (US) | 2005-05-18 | — | — | CN | disclosed |
| CN-1171878-C | Compounds, their use and pharmaceutical compositions containing them | ������˹ҩƷ��˾ | 2004-10-20 | — | — | CN | disclosed |
| CN-1278166-A | Mixtures of enanthiomers of aminocyclohexylamides to produce simultaneous analgesia with local anaesthesia or antiarrhythmia | NORTRAN PHARMACEUTICALS INC (CA) | 2000-12-27 | — | — | CN | disclosed |
| CN-1242007-A | Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising such compounds, and methods of inhibiting beta amyloid peptide release and/or its synthesis using such compounds | ELAND PHARMACEUTICAL CORP (US) | 2000-01-19 | — | — | CN | disclosed |