Acetic Acid

Acetic Acid

SCHEMBL540945

CC(=O)O.NCc1ncccn1

nearest known ligand 0.40

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
ADRB2 known ✓ P07550 1/20 0.33
P2RX7 Q99572 2/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAPRT Q6XQN6 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
P4HTM Q9NXG6 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
MYC P01106 2/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33

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
Oxalic Acid SCHEMBL4816262 0.88 P2RX7 (0.41) P2RX7LMNAALDH1A1KDM4ENAPRT
Fumaric Acid SCHEMBL4976045 0.83 KDM4E (0.45) P2RX7LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL244917 0.83
SCHEMBL17275087 0.80 LMNA (0.43) P2RX7LMNAHTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4489525 0.80
Acetic Acid SCHEMBL31083905 0.75 ALDH1A1 (0.53) LMNAALDH1A1KDM4ESMN1; SMN2CYP1A2
Acetic Acid SCHEMBL3859492 0.75 ALDH1A1 (0.53) LMNAALDH1A1KDM4ESMN1; SMN2CYP1A2
Acetic Acid SCHEMBL1062315 0.75 ALDH1A1 (0.53) LMNAALDH1A1KDM4ESMN1; SMN2CYP1A2
Acetic Acid SCHEMBL7837904 0.73 HSP90AA1 (0.63) P2RX7LMNAHTTALDH1A1KDM4E
Acetic Acid SCHEMBL15174453 0.72 NOS3 (0.42) P2RX7HTTALDH1A1NAPRTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666814-A Atorvastatin non-preparation method 济南鸿湾生物技术有限公司 2024-09-20 CN disclosed
WO-2014174529-A2 POLYMORPHS OF AVANAFIL HETERO RESEARCH FOUNDATION (IN) 2014-10-30 WO disclosed
US-8399663-B2 Salt of 1,3,5-triazine-2,4,6-triamine derivative ASTELLAS PHARMA INC. (JP) 2013-03-19 US disclosed
US-20120088772-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER ASTELLAS PHARMA INC. (JP) 2012-04-12 US disclosed
EP-2413940-A1 COMPOSITIONS COMPRISING 2, 4, 6-TRIAMINO-1, 3, 5-TRIAZINE DERIVATIVES FOR TREATMENT OF SCHIZOPHRENIA Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20100256151-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
WO-2010114163-A1 COMPOSITIONS COMPRISING 2, 4, 6-TRIAMINO-1, 3, 5-TRIAZINE DERIVATIVES FOR TREATMENT OF SCHIZOPHRENIA ASTELLAS PHARMA INC. (JP) 2010-10-07 WO disclosed
US-20100256152-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR TREATMENT OF SCHIZOPHRENIA ASTELLAS PHARMA INC. (JP) 2010-10-07 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 (3 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-20100256152-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR TREATMENT OF SCHIZOPHRENIA KCNAB1, KCNN1, SCN1A ADRB2 904/4885P2RX7 2145/4885LMNA 4682/4885
US-20120088772-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER SLC6A3, ATP1A2, SLC6A1 ADRB2 587/4885P2RX7 1198/4885LMNA 4763/4885
US-20100256151-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE FH, FAH, GOT1 ADRB2 3616/4885P2RX7 2881/4885LMNA 3223/4885

“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.