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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 16/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.62 |
| ▸ | TOP1 | P11387 | 1/20 | 0.62 |
| ▸ | CASP1 | P29466 | 1/20 | 0.62 |
| ▸ | CASP7 | P55210 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | TOP2A | P11388 | 1/20 | 0.60 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.60 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.52 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3506391 | 0.95 | NQO2 (0.82) | NQO2ALDH1A1HPGDPRMT1TOP1 | |
| Acetic Acid SCHEMBL397498 | 0.92 | NQO2 (0.70) | NQO2ALDH1A1HPGDPRMT1TOP1 | |
| SCHEMBL397579 | 0.91 | NQO2 (0.75) | NQO2ALDH1A1HPGDPRMT1TOP1 | |
| SCHEMBL23566020 | 0.85 | NQO2 (0.79) | NQO2ALDH1A1HPGDPRMT1TOP1 | |
| SCHEMBL3505723 | 0.85 | NQO2 (0.79) | NQO2ALDH1A1HPGDPRMT1TOP1 | |
| Hydrochloric Acid SCHEMBL11603402 | 0.85 | TOP2A (0.76) | NQO2ALDH1A1HPGDPRMT1TOP1 | |
| Acetic Acid SCHEMBL395120 | 0.84 | NQO2 (0.60) | NQO2ALDH1A1HPGDPRMT1TOP1 | |
| SCHEMBL395347 | 0.82 | NQO2 (0.63) | NQO2ALDH1A1HPGDPRMT1TOP1 | |
| Acetic Acid SCHEMBL398148 | 0.82 | NQO2 (0.72) | NQO2ALDH1A1HPGDPRMT1TOP1 | |
| SCHEMBL13167095 | 0.79 | NQO2 (0.62) | NQO2ALDH1A1HPGDPRMT1TOP1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188121-B2 | Substituted pyridines as antiparasitic AZA teraryl compounds | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2012-05-29 | — | — | US | disclosed |
| US-8101636-B2 | Linear dicationic terphenyls and their aza analogues as antiparasitic agents | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2012-01-24 | — | — | US | disclosed |
| US-20110257199-A1 | NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS | TIDWELL RICHARD R | 2011-10-20 | — | — | US | disclosed |
| US-7964619-B2 | Teraryl components as antiparasitic agents | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2011-06-21 | — | — | US | disclosed |
| EP-1949896-A2 | Linear dicationic terphenyls and their aza analogues as antiparasitic agents | The University of North Carolina At Chapel Hill (US) | 2008-07-30 | — | — | EP | disclosed |
| US-20070232621-A1 | Linear dicationic terphenyls and their aza analogues as antiparasitic agents | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2007-10-04 | — | — | US | disclosed |
| US-20060293328-A1 | Linear dicationic terphenyls and their aza analogues as antiparasitic agents | TIDWELL RICHARD R | 2006-12-28 | — | — | US | disclosed |
| EP-1736466-A1 | Linear dicationic terphenyls and their aza analogues as antiparasitic agents | The University of North Carolina at Chapel Hill (US) | 2006-12-27 | — | — | 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-20070232621-A1 | Linear dicationic terphenyls and their aza analogues as antiparasitic agents | TPMT, TYMS, DDT | NQO2 2112/4885ALDH1A1 2647/4885HPGD 4029/4885 |
| US-20110257199-A1 | NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS | DDT, ZC3HAV1, MAVS | NQO2 2186/4885ALDH1A1 1910/4885HPGD 3434/4885 |
| US-20060293328-A1 | Linear dicationic terphenyls and their aza analogues as antiparasitic agents | TPMT, TYMS, DDT | NQO2 2112/4885ALDH1A1 2647/4885HPGD 4029/4885 |
“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.