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 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ATP6V1B2 | P21281 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.36 |
| ▸ | HTR3B | O95264 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5585796 | 0.93 | ADRB2 (0.58) | ADRB2HRH4CYP1A2CYP2C9HRH3 | |
| Acetic Acid SCHEMBL6183906 | 0.86 | PRKCQ (0.41) | ADRB2KDM4EHSD17B10HTR2CHSD11B1 | |
| Acetic Acid SCHEMBL6183329 | 0.83 | HTR2C (0.44) | ADRB2CYP3A4HTR2CHTR2A | |
| Acetic Acid SCHEMBL6182343 | 0.83 | ADRB2 (0.48) | ADRB2HRH4CYP1A2CYP2C9HRH3 | |
| Acetic Acid SCHEMBL6183214 | 0.82 | OPRL1 (0.46) | ADRB2HRH4CYP1A2CYP2C9HRH3 | |
| SCHEMBL5585944 | 0.78 | HTR2C (0.45) | ADRB2KDM4EHSD17B10HTR2CHSD11B1 | |
| SCHEMBL5585680 | 0.78 | HTR2C (0.45) | ADRB2KDM4EHSD17B10HTR2CHSD11B1 | |
| SCHEMBL5585677 | 0.78 | HTR2C (0.45) | ADRB2KDM4EHSD17B10HTR2CHSD11B1 | |
| Acetic Acid SCHEMBL6185363 | 0.78 | ADRB2 (0.49) | ADRB2HRH4CYP1A2CYP2C9HRH3 | |
| SCHEMBL5585597 | 0.75 | HTR2C (0.46) | ADRB2CYP3A4HTR2CHTR2A |
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 |