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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | INMT | O95050 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 4/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
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 SCHEMBL30330055 | 0.90 | CCR5 (0.35) | INMTCCR5FNTAFNTBEP300 | |
| Acetic Acid SCHEMBL30330167 | 0.90 | INMT (0.47) | INMT | |
| Acetic Acid SCHEMBL30329963 | 0.89 | INMT (0.35) | INMTCCR5FNTAFNTB | |
| Acetic Acid SCHEMBL30330046 | 0.86 | INMT (0.38) | INMTCCR5FNTAFNTBEP300 | |
| Acetic Acid SCHEMBL30329967 | 0.80 | FAAH (0.37) | FNTAFNTBEP300 | |
| Hydrochloric Acid SCHEMBL30330121 | 0.80 | CCR5 (0.36) | CCR5 | |
| Hydrochloric Acid SCHEMBL30329985 | 0.80 | CCR5 (0.36) | CCR5 | |
| Hydrochloric Acid SCHEMBL30329893 | 0.80 | CCR5 (0.36) | CCR5 | |
| SCHEMBL14818807 | 0.80 | CCR5 (0.39) | CCR5 | |
| Cyanide SCHEMBL30330027 | 0.76 | INMT (0.37) | INMT |
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 |