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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYTH2 | Q99418 | 2/20 | 0.66 |
| ▸ | GAA | P10253 | 3/20 | 0.64 |
| ▸ | GFER | P55789 | 1/20 | 0.64 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | PKM | P14618 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | CRHBP | P24387 | 1/20 | 0.56 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.52 |
| ▸ | FABP4 | P15090 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13997280 | 0.95 | CYTH2 (0.71) | CYTH2GAAGFERAPOBEC3GALDH1A1 | |
| SCHEMBL16187955 | 0.87 | UQCRB (0.64) | CYTH2GAAGFERAPOBEC3GALDH1A1 | |
| SCHEMBL30343351 | 0.81 | PKM (0.69) | CYTH2GAAGFERAPOBEC3GALDH1A1 | |
| SCHEMBL7577338 | 0.81 | PKM (0.69) | CYTH2GAAGFERAPOBEC3GALDH1A1 | |
| SCHEMBL7181291 | 0.81 | CES1 (0.62) | GAAALDH1A1PKMHTTALOX15 | |
| SCHEMBL15894601 | 0.80 | CA12 (0.60) | CYTH2GAAGFERAPOBEC3GALDH1A1 | |
| SCHEMBL6440479 | 0.79 | CYTH2 (0.57) | CYTH2GAAGFERAPOBEC3GALDH1A1 | |
| SCHEMBL16366458 | 0.79 | ALDH1A1 (0.75) | GAAGFERAPOBEC3GALDH1A1PKM | |
| SCHEMBL4955646 | 0.78 | CYTH2 (0.64) | CYTH2GAAGFERAPOBEC3GALDH1A1 | |
| SCHEMBL9345894 | 0.78 | GAA (1.00) | CYTH2GAAGFERAPOBEC3GALDH1A1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7776909-B2 | such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia | DOMPE PHA.R.MA S.P.A. (IT) | 2010-08-17 | — | — | US | disclosed |
| US-20060223842-A1 | such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia | DOMPÉ FARMACEUTICI S.P.A. (IT) | 2006-10-05 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060223842-A1 | such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia | CXCR2, CXCR1, MMP8 | CYTH2 2570/4885GAA 4554/4885GFER 2453/4885 |
“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.