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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7110445 | 0.95 | LMNA (0.40) | LMNAMMP1MMP2MMP3MMP9 | |
| SCHEMBL2608669 | 0.95 | LMNA (0.40) | LMNAMMP1MMP2MMP3MMP9 | |
| SCHEMBL18218913 | 0.91 | ALDH1A1 (0.43) | LMNAMMP1MMP2MMP3MMP9 | |
| SCHEMBL935213 | 0.88 | EGLN1 (0.45) | LMNAMMP1MMP2MMP3MMP9 | |
| SCHEMBL9817250 | 0.88 | LMNA (0.50) | LMNAMMP1MMP2MMP3MMP9 | |
| SCHEMBL19107033 | 0.85 | LMNA (0.34) | LMNAMMP1MMP2MMP3MMP9 | |
| SCHEMBL18651161 | 0.84 | ALDH1A1 (0.48) | LMNAMMP1MMP2MMP3MMP9 | |
| SCHEMBL2520414 | 0.84 | LMNA (0.36) | LMNAMMP1MMP2MMP3MMP9 | |
| SCHEMBL4622341 | 0.84 | ALDH1A1 (0.48) | LMNAMMP1MMP2MMP3MMP9 | |
| SCHEMBL2353376 | 0.83 | CA1 (0.43) | LMNAMMP1MMP2MMP3MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3750989-A1 | PRODUCTION OF PLANT-BASED ACTIVE SUBSTANCES (E.G. CANNABINOIDS) BY RECOMBINANT MICROORGANISMS | Synbionik GmbH (DE) | 2020-12-16 | — | — | EP | disclosed |