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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.52 |
| ▸ | NQO2 | P16083 | 10/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | C1S | P09871 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL397362 | 0.92 | CYP11B1 (0.50) | NPC1RAB9ASMN1; SMN2TP53CYP11B1 | |
| Acetic Acid SCHEMBL395120 | 0.80 | NQO2 (0.60) | NPC1RAB9ASMN1; SMN2NQO2PRSS1 | |
| SCHEMBL8975727 | 0.77 | RXFP1 (0.44) | NPC1RAB9ASMN1; SMN2NQO2BAZ2B | |
| SCHEMBL8975609 | 0.76 | RXFP1 (0.49) | NPC1NQO2BAZ2B | |
| Acetic Acid SCHEMBL5495041 | 0.75 | NQO2 (0.50) | NQO2F2PRSS1 | |
| SCHEMBL14369783 | 0.75 | WDR5 (0.47) | NPC1NQO2BAZ2B | |
| SCHEMBL395012 | 0.74 | CYP11B1 (0.48) | NPC1RAB9ASMN1; SMN2TP53CYP11B1 | |
| SCHEMBL8975475 | 0.74 | WDR5 (0.53) | NPC1NQO2F2PRSS1PRSS3 | |
| Acetic Acid SCHEMBL398148 | 0.74 | NQO2 (0.72) | NQO2F2 | |
| SCHEMBL394654 | 0.74 | PRSS1 (0.61) | NQO2F2PLGPRSS1PRSS2 |
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 | NPC1 1749/4885RAB9A 1623/4885SMN1; SMN2 4834/4885 |
| US-20110257199-A1 | NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS | DDT, ZC3HAV1, MAVS | NPC1 688/4885RAB9A 734/4885SMN1; SMN2 4870/4885 |
| US-20060293328-A1 | Linear dicationic terphenyls and their aza analogues as antiparasitic agents | TPMT, TYMS, DDT | NPC1 1749/4885RAB9A 1623/4885SMN1; SMN2 4834/4885 |
“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.