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 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.52 |
| ▸ | PPARG | P37231 | 7/20 | 0.52 |
| ▸ | PPARD | Q03181 | 7/20 | 0.52 |
| ▸ | PPARA | Q07869 | 7/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TLR2 | O60603 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | FABP4 | P15090 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.52 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
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 SCHEMBL19260206 | 0.98 | AKR1B1 (0.50) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL11672966 | 0.89 | CES2 (0.46) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL12814573 | 0.89 | CES2 (0.46) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL9587972 | 0.89 | CES2 (0.46) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL10994386 | 0.89 | CES2 (0.46) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL4876469 | 0.89 | CES2 (0.46) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL9498240 | 0.89 | CES2 (0.46) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL10844127 | 0.89 | CES2 (0.46) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL2294833 | 0.87 | — | — | |
| Acetic Acid SCHEMBL9871794 | 0.80 | GPR84 (0.58) | GPR84PPARGPPARDPPARAHDAC11 |
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 |
|---|---|---|---|---|---|---|---|
| US-20080064624-A1 | Organoleptic Compounds and Their Use in Perfume Compositions | KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) | 2008-03-13 | — | — | US | claimed |
| US-20080064624-A1 | Organoleptic Compounds and Their Use in Perfume Compositions | KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) | 2008-03-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080064624-A1 | Organoleptic Compounds and Their Use in Perfume Compositions | CPT1A, CYP2E1, TRPA1 | ESR1 2724/4885GPR84 195/4885PPARG 519/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.