Acetic Acid

Acetic Acid

SCHEMBL31700149

CC(=O)O.CCOC(=O)c1ncn2c1CNC[C@H]2C

nearest known ligand 0.45

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
▸ GABRG2 P18507 13/20 0.40
▸ GABRB3 P28472 13/20 0.40
▸ GABRA5 P31644 13/20 0.40
▸ GABRA2 P47869 7/20 0.40
▸ GABRA1 P14867 6/20 0.40
▸ GABRA3 P34903 6/20 0.40
▸ GABRA6 Q16445 5/20 0.39
▸ GABRB2 P47870 4/20 0.39
▸ GABRA4 P48169 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL31700199 0.82 NPSR1 (0.33) GABRA2GABRA3MEN1KMT2A
SCHEMBL20691676 0.71 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA2GABRA1
Hydrochloric Acid SCHEMBL17798425 0.70 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL31707236 0.69 KMT2A (0.39) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL31699998 0.68 MEN1 (0.39) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL13002475 0.68 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA2GABRA1
Hydrochloric Acid SCHEMBL31699797 0.68 KMT2A (0.38) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL14996197 0.67 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL16268118 0.66 ALDH1A1 (0.42) GABRG2GABRB3GABRA5GABRA2GABRA1
Trifluoroacetic Acid SCHEMBL3765321 0.66 GABRG2 (0.52) GABRG2GABRB3GABRA5GABRA2GABRA1

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-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds PFIZER INC. (US) 2025-10-16 — — US disclosed
WO-2025215579-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2025-10-16 — — WO 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-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds HRH4, HNMT, NNT GABRG2 4411/4885GABRB3 4568/4885GABRA5 4530/4885

“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.

Send feedback