Acetic Acid

Acetic Acid

SCHEMBL5526730

CC(=O)O.CN(C)CCN(C)C

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MAPT P10636 1/20 0.44
CHRM1 P11229 3/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRNB2 P17787 1/20 0.42

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.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL27684197 1.00 FFAR3 (0.50) FFAR3LCKFYNCA12CA2
Acetic Acid SCHEMBL7116566 0.91 CA12 (0.65) FFAR3LCKFYNCA12CA2
Acetic Acid SCHEMBL19856511 0.84 ALDH1A1 (0.65) FFAR3LCKFYNALDH1A1TSHR
Acetic Acid SCHEMBL699535 0.84 FFAR3 (0.41) FFAR3LCKFYNCA12CA2
Captamine SCHEMBL4576750 0.84 TDP1 (0.65) FFAR3LCKFYNMAPTCHRM1
Dimethylaminoethanol SCHEMBL358310 0.84 MAPT (0.71) FFAR3LCKFYNCA12CA2
Acetic Acid SCHEMBL29284750 0.84 FFAR3 (0.35) FFAR3LCKFYNCA12CA2
Acetic Acid SCHEMBL7124420 0.82 FFAR3 (0.39) FFAR3LCKFYNMAPTCHRM1
Acetic Acid SCHEMBL14782558 0.82 FFAR3 (0.39) FFAR3LCKFYNCA12CA2
Acetic Acid SCHEMBL29175008 0.82 FFAR3 (0.39) FFAR3LCKFYNMAPTCHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070172925-A1 Ribonucleic acid compound and method of liquid-phase synthesis of oligonucleic acid compound NIPPON SHINYAKU CO., LTD. (JP) 2007-07-26 US disclosed
EP-1710249-A1 RIBONUCLEIC ACID COMPOUND AND METHOD OF LIQUID-PHASE SYNTHESIS OF OLIGONUCLEIC ACID COMPOUND Nippon Shinyaku Co., Ltd. (JP) 2006-10-11 EP disclosed
US-4144239-A Manufacture of pyridoxin BASF AKTIENGESELLSCHAFT (DE) 1979-03-13 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070172925-A1 Ribonucleic acid compound and method of liquid-phase synthesis of oligonucleic acid compound RNASEH1, NSUN2, POLR2H FFAR3 3614/4885LCK 3619/4885FYN 4601/4885

“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.