Acetic Acid

Acetic Acid

SCHEMBL7080071

CC(=O)O.CC1CNCCC1N1CCN(c2ccc(C=NN)cc2)CC1

nearest known ligand 0.46

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 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.46
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
FURIN P09958 1/20 0.36
CA2 P00918 6/20 0.35
CA9 Q16790 6/20 0.35
CA7 P43166 5/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
POLB P06746 1/20 0.34
KHK P50053 3/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 4/20 0.33
CA12 O43570 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL8003545 0.81 ITGB3 (0.50) SLC18A3USP2MEN1KMT2A
SCHEMBL7346450 0.76 ITGB3 (0.45) SLC18A3KDM4EALDH1A1FURINCA2
SCHEMBL7346457 0.76 ITGB3 (0.45) SLC18A3KDM4EALDH1A1FURINCA2
SCHEMBL7342452 0.73 SLC18A3 (0.50) SLC18A3KDM4EKHK
SCHEMBL7342460 0.73 SLC18A3 (0.50) SLC18A3KDM4EKHK
SCHEMBL7342448 0.73 SLC18A3 (0.50) SLC18A3KDM4EKHK
SCHEMBL6839450 0.68 ITGB3 (0.65) KDM4EALDH1A1FURINMEN1KMT2A
Methane SCHEMBL7337948 0.68 ITGB3 (0.64) KDM4EALDH1A1FURINMEN1KMT2A
SCHEMBL7343409 0.67 ITGB3 (0.42) KDM4EALDH1A1FURINCA2CA9
Hydrochloric Acid SCHEMBL8431413 0.67 ALOX15 (0.64) KDM4EALDH1A1FURINMEN1KMT2A

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030118584-A1 Restoration of platelet aggregation by antibody administration after GPIIB/IIIa antagonist treatment G.D. SEARLE & CO. 2003-06-26 US disclosed
US-20020177172-A1 RESTORATION OF PLATELET AGGREGATION BY ANTIBODY ADMINISTRATION AFTER GPIIB/IIIA ANTAGONIST TREATMENT WESTERN MICHIGAN UNIVERSITY 2002-11-28 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-20030118584-A1 Restoration of platelet aggregation by antibody administration after GPIIB/IIIa antagonist treatment F13B, GP6, FGB SLC18A3 2450/4885KDM4E 4175/4885ALDH1A1 2235/4885

“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.