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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 11/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 6/20 | 0.40 |
| ▸ | TMPRSS15 | P98073 | 5/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | CTRC | Q99895 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14433323 | 0.93 | PRMT1 (0.41) | NQO2PRSS1TMPRSS15F2 | |
| Acetic Acid SCHEMBL3505182 | 0.83 | NQO2 (0.52) | NQO2PRSS1TMPRSS15 | |
| Acetic Acid SCHEMBL5490243 | 0.82 | NQO2 (0.74) | NQO2 | |
| SCHEMBL5486540 | 0.81 | HTT (0.34) | NQO2 | |
| SCHEMBL14433324 | 0.79 | MAPT (0.41) | — | |
| SCHEMBL14433310 | 0.76 | NQO2 (0.53) | NQO2F2 | |
| SCHEMBL5489107 | 0.76 | MMP13 (0.30) | — | |
| SCHEMBL14445418 | 0.76 | RAB9A (0.35) | — | |
| SCHEMBL14433325 | 0.76 | RAB9A (0.35) | — | |
| Acetic Acid SCHEMBL397410 | 0.75 | NPC1 (0.55) | NQO2PRSS1F2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7256203-B2 | Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2007-08-14 | — | — | US | disclosed |
| EP-1565458-A2 | DICATIONIC 2,5-DIARYLFURAN AZA-ANALOGS AS ANTI-PROTOZOAN AGENTS | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2005-08-24 | — | — | EP | disclosed |
| US-20040122015-A1 | Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents | BOYKIN DAVID W (US) | 2004-06-24 | — | — | US | disclosed |
| WO-2004050018-A2 | DICATIONIC 2,5-DIARYLFURAN AZA-ANALOGS AS ANTI-PROTOZOAN AGENTS | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2004-06-17 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040122015-A1 | Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents | NR0B1, NR2C2, DECR1 | NQO2 982/4885PRSS1 4458/4885TMPRSS15 4713/4885 |
“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.