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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.31 |
| ▸ | SLC6A5 | Q9Y345 | 3/20 | 0.34 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 4/20 | 0.31 |
| ▸ | MAOA | P21397 | 3/20 | 0.31 |
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 SCHEMBL7721611 | 0.85 | MAOA (0.33) | ADRA1DADRA1AADRA1BALDH1A1TAAR1 | |
| SCHEMBL11560688 | 0.79 | HTR1D (0.44) | LMNATAAR1CYP1A2 | |
| SCHEMBL16855 | 0.79 | HTR1D (0.44) | LMNATAAR1CYP1A2 | |
| SCHEMBL355032 | 0.76 | ALDH1A1 (0.38) | ADRA1DADRA1AADRA1BALDH1A1TAAR1 | |
| SCHEMBL14673843 | 0.76 | ALDH1A1 (0.38) | ADRA1DADRA1AADRA1BALDH1A1TAAR1 | |
| SCHEMBL451606 | 0.76 | NISCH (0.35) | ADRA1DADRA1AADRA1BTAAR1ADRA2A | |
| SCHEMBL14675201 | 0.74 | FFAR1 (0.34) | ADRA1ATAAR1NISCHMAOAMAOB | |
| SCHEMBL14675162 | 0.74 | FFAR1 (0.34) | ADRA1ATAAR1NISCHMAOAMAOB | |
| Acetic Acid SCHEMBL11239341 | 0.72 | NISCH (0.43) | ADRA1DADRA1AADRA1BLMNAKDM4E | |
| Oleic Acid SCHEMBL11593500 | 0.69 | PPARG (0.57) | LMNAKDM4EALDH1A1HPGDTDP1 |
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-2015120418-A1 | HIGH PERFORMANCE, WATER-DILUTABLE LUBRICITY ADDITIVE FOR MULTI-METAL METALWORKING APPLICATIONS | ETHOX CHEMICALS, LLC (US) | 2015-08-13 | — | — | WO | disclosed |