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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 7/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.41 |
| ▸ | WDR5 | P61964 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4950301 | 0.93 | LMNA (0.42) | ITGB3ITGA2BWDR5NPC1LMNA | |
| Acetic Acid SCHEMBL4951340 | 0.92 | NQO2 (0.40) | ITGB3ITGA2BWDR5NQO2NPC1 | |
| Acetic Acid SCHEMBL4952431 | 0.88 | NQO2 (0.53) | ITGB3ITGA2BNQO2NPC1ALDH1A1 | |
| SCHEMBL4951689 | 0.85 | WDR5 (0.38) | ITGB3ITGA2BWDR5NPC1LMNA | |
| Acetic Acid SCHEMBL4952305 | 0.85 | ITGB3 (0.41) | ITGB3ITGA2BWDR5NQO2 | |
| SCHEMBL14028700 | 0.83 | WDR5 (0.50) | WDR5NPC1LMNAHTTRAB9A | |
| SCHEMBL4947968 | 0.81 | NQO2 (0.47) | NQO2ALDH1A1 | |
| SCHEMBL5311345 | 0.74 | WDR5 (0.41) | WDR5NPC1LMNAHTTRAB9A | |
| SCHEMBL463267 | 0.73 | WDR5 (0.52) | WDR5NPC1LMNAHTTRAB9A | |
| Hydrochloric Acid SCHEMBL440262 | 0.72 | WDR5 (0.51) | WDR5NPC1LMNAHTTRAB9A |
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-7432278-B2 | Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2008-10-07 | — | — | US | disclosed |
| EP-1745045-A2 | NOVEL DICATIONIC IMIDAZO 1,2-a PYRIDINES AND 5,6,7,8-TE TRAHYDRO-IMIDAZO 1,2a PYRIDINES AS ANTIPROTOZOAL AGENTS | The University of North Carolina at Chapel Hill (US) | 2007-01-24 | — | — | EP | disclosed |
| US-20050282853-A1 | Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents | BOYKIN DAVID W | 2005-12-22 | — | — | US | disclosed |
| WO-2005086808-A2 | NOVEL DICATIONIC IMIDAZO[1,2-a]PYRIDINES AND 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2a]PYRIDINES AS ANTIPROTOZOAL AGENTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2005-09-22 | — | — | 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-20050282853-A1 | Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents | PBRM1, QDPR, DHPS | ITGB3 3923/4885ITGA2B 3641/4885WDR5 1057/4885 |
“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.