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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27847806 | 0.83 | — | — | |
| SCHEMBL29251687 | 0.80 | CYP2C9 (0.46) | RAB9ANPC1SMN1; SMN2PKMNFKB1 | |
| Dimethylamine SCHEMBL385867 | 0.78 | TSHR (0.39) | RAB9ANPC1SMN1; SMN2PKMNFKB1 | |
| Formamide SCHEMBL4997873 | 0.77 | TRIM24 (0.50) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| Acetic Acid SCHEMBL27797342 | 0.76 | RAB9A (0.43) | RAB9ANPC1SMN1; SMN2PKMNFKB1 | |
| Trifluoromethanesulfonic Acid SCHEMBL30330622 | 0.74 | CYP2C9 (0.39) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| Acetic Acid SCHEMBL31318608 | 0.74 | CNR2 (0.39) | RAB9ANPC1SMN1; SMN2ALDH1A1RECQL | |
| Acetic Acid SCHEMBL30330510 | 0.72 | RAB9A (0.49) | RAB9ANPC1SMN1; SMN2CYP2C9ALDH1A1 | |
| SCHEMBL25469300 | 0.71 | TSHR (0.43) | RAB9ANPC1SMN1; SMN2CYP2C9TSHR | |
| Diethylamine SCHEMBL3973793 | 0.71 | TRIM24 (0.39) | SMN1; SMN2CYP2C9TSHRTRIM24TRIM33 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115093355-B | Preparation method of pyrrole ester compound | 河南农业大学 | 2024-06-04 | — | — | CN | disclosed |
| EP-4155723-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2023-03-29 | — | — | EP | disclosed |
| EP-1606248-B1 | SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMPE SPA (IT) | 2012-02-29 | — | — | EP | disclosed |
| US-7737139-B2 | Sulfonic acids, their derivatives and pharmaceutical compositions containing them | DOMPE PHA.R.MA S.P.A. (IT) | 2010-06-15 | — | — | US | disclosed |
| US-20090270425-A1 | 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE | CONCERT PHARMACEUTICALS INC. (US) | 2009-10-29 | — | — | US | disclosed |
| WO-2009099620-A1 | 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE | CONCERT PHARMACEUTICALS INC. (US) | 2009-08-13 | — | — | WO | disclosed |
| US-20090197899-A1 | 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use | CONCERT PHARMACEUTICALS INC. (US) | 2009-08-06 | — | — | US | disclosed |
| US-20060258730-A1 | Sulfonic acids, their derivatives and pharmaceutical compositions containing them | DOMPE S.P.A. (IT) | 2006-11-16 | — | — | US | disclosed |
| EP-1606248-A2 | SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Dompé S.P.A. (IT) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004080951-A2 | SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMPE S.P.A. (IT) | 2004-09-23 | — | — | WO | disclosed |
| EP-1457485-A1 | Sulfonic acids, their derivatives and pharmaceutical compositions containing them | Dompé S.P.A. (IT) | 2004-09-15 | — | — | EP | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090270425-A1 | 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE | PDE5A, PDE3A, PDE3B | RAB9A 1663/4885NPC1 2813/4885SMN1; SMN2 2426/4885 |
| US-20090197899-A1 | 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use | PDE5A, PDE3A, PDE3B | RAB9A 1663/4885NPC1 2813/4885SMN1; SMN2 2426/4885 |
| US-20060258730-A1 | Sulfonic acids, their derivatives and pharmaceutical compositions containing them | CCR8, CCR1, CXCR1 | RAB9A 2655/4885NPC1 2607/4885SMN1; SMN2 1527/4885 |
“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.