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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.30 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.30 |
| ▸ | BLM | P54132 | 2/20 | 0.30 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.30 |
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 SCHEMBL23000898 | 1.00 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1CYP2D6 | |
| Acetic Acid SCHEMBL11351569 | 1.00 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1CYP2D6 | |
| Acetic Acid SCHEMBL3391626 | 0.91 | FFAR3 (0.41) | FFAR3LCKFYNALDH1A1CYP2D6 | |
| Acetic Acid SCHEMBL2166820 | 0.86 | FFAR3 (0.37) | FFAR3LCKFYN | |
| Bicarbonate SCHEMBL575069 | 0.85 | CA1 (0.42) | ALDH1A1CYP2D6ALOX15LMNATDP1 | |
| Acetic Acid SCHEMBL2833262 | 0.84 | — | — | |
| Acetic Acid SCHEMBL28425514 | 0.84 | PPARG (0.39) | ALOX15LMNATDP1BLMAPEX1 | |
| Acetic Acid SCHEMBL7185392 | 0.84 | PPARG (0.39) | ALOX15LMNATDP1BLMAPEX1 | |
| Acetic Acid SCHEMBL4900518 | 0.82 | TOP1 (0.36) | FFAR3LCKFYNALDH1A1ALOX15 | |
| Acetic Acid SCHEMBL18339170 | 0.82 | ALDH1A1 (0.48) | ALDH1A1ALOX15LMNATDP1BLM |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006024885-A1 | PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS | POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) | 2006-03-09 | — | — | WO | claimed |
| US-8383274-B2 | Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein | UBE INDUSTRIES, LTD. (JP) | 2013-02-26 | — | — | US | disclosed |
| US-20110183199-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN | UBE INDUSTRIES, LTD. (JP) | 2011-07-28 | — | — | US | disclosed |
| US-4467120-A | Preparation of α,β-unsaturated aldehydes and 2,7-dimethyl-octa-2,6-dienal | BASF AKTIENGESELLSCHAFT (DE) | 1984-08-21 | — | — | US | disclosed |
| US-4287356-A | BY REACTING BUTADIENE WITH OXYGEN AND A CARBOXYLIC ACID IN THE PRESENCE OF A PALLADIUM AND COBALT-CONTAINING CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1981-09-01 | — | — | US | disclosed |
| EP-0004622-B1 | PROCESS FOR PREPARING CROTONALDEHYDE AND CROTONALDEHYDE DERIVATIVES | BASF Aktiengesellschaft (DE) | 1981-03-25 | — | — | EP | disclosed |
| US-4239706-A | Preparation of crotonaldehydes | BASF AKTIENGESELLSCHAFT (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4239910-A | ACYLOXYLATION OF BUTADIENE | BASF AKTIENGESELLSCHAFT (DE) | 1980-12-16 | — | — | US | disclosed |
| EP-0004622-A1 | Process for preparing crotonaldehyde and crotonaldehyde derivatives | BASF Aktiengesellschaft (DE) | 1979-10-17 | — | — | EP | 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-20110183199-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN | HCN2, KCNN2, KCNB1 | FFAR3 996/4885LCK 455/4885FYN 481/4885 |
“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.