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 | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | EP300 | Q09472 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5936921 | 0.91 | ALOX5 (0.39) | ALOX5MAPT | |
| SCHEMBL30330110 | 0.87 | ALOX5 (0.36) | ALOX5 | |
| Cyanide SCHEMBL30329774 | 0.86 | ALOX5 (0.36) | ALOX5MAPT | |
| Acetic Acid SCHEMBL30330046 | 0.86 | INMT (0.38) | ALOX5FNTAFNTBEP300LMNA | |
| SCHEMBL30329982 | 0.83 | CCR5 (0.36) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL30330263 | 0.82 | CCR5 (0.39) | ALOX5 | |
| Trifluoromethanesulfonic Acid SCHEMBL30330427 | 0.82 | CCR5 (0.39) | ALOX5 | |
| Acetic Acid SCHEMBL30330055 | 0.82 | CCR5 (0.35) | FNTAFNTBEP300 | |
| Trifluoromethanesulfonic Acid SCHEMBL30330718 | 0.81 | CCR5 (0.38) | ALOX5MAPT | |
| Acetic Acid SCHEMBL30329963 | 0.80 | INMT (0.35) | FNTAFNTB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023046704-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2023-03-30 | — | — | WO | disclosed |