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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.41 |
| ▸ | NMT1 | P30419 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 5/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PRKCB | P05771 | 1/20 | 0.37 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.37 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5585588 | 0.94 | NMT1 (0.46) | NMT1ADRB2CYP1A2CYP2C9HTR6 | |
| Acetic Acid SCHEMBL6185363 | 0.82 | ADRB2 (0.49) | ADRB2HRH4CYP1A2CYP2C9HTR6 | |
| SCHEMBL6185077 | 0.80 | ADRB2 (0.51) | ADRB2HRH4CYP1A2CYP2C9HTR6 | |
| SCHEMBL5585610 | 0.76 | ADRB2 (0.53) | ADRB2CYP1A2CYP2C9HTR6HTR2C | |
| SCHEMBL5585313 | 0.75 | ADRB2 (0.55) | ADRB2HRH4CYP1A2CYP2C9HTR6 | |
| SCHEMBL5586025 | 0.75 | ADRB2 (0.52) | ADRB2CYP1A2CYP2C9HTR6HTR2C | |
| Acetic Acid SCHEMBL6188181 | 0.75 | ADRB2 (0.43) | ADRB2HRH4CYP1A2CYP2C9HTR2C | |
| Acetic Acid SCHEMBL6184466 | 0.75 | ADRB2 (0.43) | ADRB2HRH4CYP1A2CYP2C9HTR2C | |
| Acetic Acid SCHEMBL6183443 | 0.74 | PRMT5 (0.43) | NMT1ADRB2HRH4CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL6187280 | 0.74 | ADRB2 (0.54) | ADRB2CYP1A2CYP2C9HTR6HTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1506185-A1 | NOVEL COMPOUNDS AND THEIR USE | Biovitrum AB (SE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097636-A1 | NOVEL COMPOUNDS AND THEIR USE | BIOVITRUM AB (SE) | 2003-11-27 | — | — | WO | disclosed |