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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
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 SCHEMBL4211515 | 0.98 | LMNA (0.57) | LMNAALDH1A1HSD17B10FFAR3LCK | |
| Acetic Acid SCHEMBL222953 | 0.95 | LMNA (0.67) | LMNAALDH1A1HSD17B10FFAR3LCK | |
| Acetic Acid SCHEMBL23907968 | 0.95 | LMNA (0.67) | LMNAALDH1A1HSD17B10FFAR3LCK | |
| Acetic Acid SCHEMBL8529879 | 0.92 | LMNA (0.63) | LMNAALDH1A1HSD17B10FFAR3LCK | |
| Acetone SCHEMBL1036956 | 0.92 | LMNA (0.63) | LMNAALDH1A1HSD17B10THRBTDP1 | |
| Butanone SCHEMBL7643691 | 0.88 | LMNA (0.57) | LMNAALDH1A1HSD17B10THRBTDP1 | |
| Bicarbonate SCHEMBL5374586 | 0.87 | LMNA (0.71) | LMNAALDH1A1HSD17B10FFAR3THRB | |
| Bicarbonate SCHEMBL28895866 | 0.87 | LMNA (0.71) | LMNAALDH1A1HSD17B10FFAR3THRB | |
| Acetone SCHEMBL590699 | 0.87 | LMNA (0.71) | LMNAALDH1A1HSD17B10THRBTDP1 | |
| Bicarbonate SCHEMBL28942687 | 0.87 | LMNA (0.71) | LMNAALDH1A1HSD17B10FFAR3THRB |
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 |
|---|---|---|---|---|---|---|---|
| US-20030129131-A1 | Preparations for measuring gastric ph value and method of measuring gastric ph value by using the same | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 2003-07-10 | — | — | US | claimed |
| EP-1312381-A1 | PREPARATIONS FOR MEASRUING GASTRIC pH VALUE AND METHOD OF MEASURING GASTRIC pH VALUE BY USING THE SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2003-05-21 | — | — | EP | claimed |
| JP-1022816-A | — | — | None | — | — | JP | disclosed |
| JP-9188617-A | — | — | None | — | — | JP | disclosed |
| US-20030129131-A1 | Preparations for measuring gastric ph value and method of measuring gastric ph value by using the same | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 2003-07-10 | — | — | US | disclosed |
| EP-1312381-A1 | PREPARATIONS FOR MEASRUING GASTRIC pH VALUE AND METHOD OF MEASURING GASTRIC pH VALUE BY USING THE SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2003-05-21 | — | — | EP | disclosed |
| JP-H09188617-A | MEDICINAL COMPOSITION OF SUSTAINED RELEASE | POLA CHEM IND INC | 1997-07-22 | — | — | JP | disclosed |
| CN-1097303-A | Propylphenon skin penetrating composition | DAIICHI SEIYAKU SAITAMA (JP) | 1995-01-18 | — | — | CN | disclosed |
| JP-S6422816-A | PRODUCTION OF MICROCAPSULE | TAISHO PHARMACEUTICAL CO LTD | 1989-01-25 | — | — | JP | disclosed |