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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.33 |
| ▸ | PPARG | P37231 | 6/20 | 0.33 |
| ▸ | PPARD | Q03181 | 6/20 | 0.33 |
| ▸ | PPARA | Q07869 | 6/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TLR2 | O60603 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | FABP4 | P15090 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL10922905 | 0.92 | GPR84 (0.40) | HCAR2GPR84PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL5914494 | 0.92 | GPR84 (0.40) | HCAR2GPR84PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL1782736 | 0.90 | GPR84 (0.39) | HCAR2GPR84PPARGPPARDPPARA | |
| SCHEMBL5186150 | 0.89 | AKR1B1 (0.41) | AKR1B1HCAR2GPR84PPARGPPARD | |
| SCHEMBL5186143 | 0.89 | AKR1B1 (0.41) | AKR1B1HCAR2GPR84PPARGPPARD | |
| SCHEMBL9191867 | 0.79 | LMNA (0.30) | TSHR | |
| Acetic Acid SCHEMBL5083333 | 0.77 | FFAR3 (0.33) | — | |
| Acetic Acid SCHEMBL9240467 | 0.77 | FFAR3 (0.37) | HCAR2ALDH1A1TDP1 | |
| Acetic Acid SCHEMBL9223254 | 0.76 | FFAR3 (0.32) | — | |
| SCHEMBL8651775 | 0.75 | TSHR (0.33) | TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2864458-B1 | FRICTION MODIFIER AND THEIR USE IN LUBRICANTS AND FUELS | CASTROL LTD (GB) | 2017-05-17 | — | — | EP | disclosed |
| EP-2864458-A1 | FRICTION MODIFIER AND THEIR USE IN LUBRICANTS AND FUELS | Castrol Limited (GB) | 2015-04-29 | — | — | EP | disclosed |
| WO-2013189674-A1 | FRICTION MODIFIER AND THEIR USE IN LUBRICANTS AND FUELS | CASTROL LIMITED (GB) | 2013-12-27 | — | — | WO | disclosed |
| EP-0941120-A4 | BRANCHED PEPTIDE LINKERS | BRISTOL MYERS SQUIBB CO (US) | 2004-08-18 | — | — | EP | disclosed |
| EP-0941120-A1 | BRANCHED PEPTIDE LINKERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-09-15 | — | — | EP | disclosed |
| WO-1998019705-A1 | BRANCHED PEPTIDE LINKERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |