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 | 0.46 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 6/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5585304 | 0.95 | PRMT5 (0.52) | PRMT5ADRB2HTR6KDM4ECYP3A4 | |
| Acetic Acid SCHEMBL6185363 | 0.78 | ADRB2 (0.49) | PRMT5ADRB2HTR6KDM4ECYP3A4 | |
| Acetic Acid SCHEMBL6187376 | 0.77 | ADRB2 (0.48) | ADRB2KDM4ECYP3A4HSD17B10CYP1A2 | |
| SCHEMBL5585294 | 0.75 | ADRB2 (0.62) | PRMT5ADRB2HTR6KDM4ECYP3A4 | |
| Acetic Acid SCHEMBL6184466 | 0.75 | ADRB2 (0.43) | PRMT5ADRB2KDM4ECYP3A4HSD17B10 | |
| Acetic Acid SCHEMBL6183443 | 0.74 | PRMT5 (0.43) | PRMT5ADRB2HTR6KDM4ECYP3A4 | |
| SCHEMBL5585610 | 0.73 | ADRB2 (0.53) | PRMT5ADRB2HTR6KDM4ECYP3A4 | |
| Acetic Acid SCHEMBL6188181 | 0.73 | ADRB2 (0.43) | PRMT5ADRB2KDM4ECYP3A4HSD17B10 | |
| Acetic Acid SCHEMBL6185154 | 0.72 | NMT1 (0.42) | ADRB2HTR6CYP1A2CYP2C9HTR2C | |
| SCHEMBL5586025 | 0.72 | ADRB2 (0.52) | PRMT5ADRB2HTR6KDM4ECYP3A4 |
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 |