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 | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 5/20 | 0.66 |
| ▸ | ST14 | Q9Y5Y6 | 7/20 | 0.63 |
| ▸ | F2 | P00734 | 7/20 | 0.63 |
| ▸ | PLAU | P00749 | 1/20 | 0.63 |
| ▸ | PRSS1 | P07477 | 6/20 | 0.60 |
| ▸ | PRSS2 | P07478 | 6/20 | 0.60 |
| ▸ | PRSS3 | P35030 | 6/20 | 0.60 |
| ▸ | PLG | P00747 | 1/20 | 0.60 |
| ▸ | F10 | P00742 | 2/20 | 0.53 |
| ▸ | FURIN | P09958 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.48 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.48 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13270794 | 0.89 | ST14 (0.79) | ST14F2PLAUPRSS1PRSS2 | |
| Acetic Acid SCHEMBL6179057 | 0.89 | NQO2 (0.73) | NQO2ST14F2PRSS1PRSS2 | |
| SCHEMBL483100 | 0.80 | ST14 (1.00) | ST14F2PLAUPRSS1PRSS2 | |
| SCHEMBL17084494 | 0.80 | ST14 (1.00) | ST14F2PLAUPRSS1PRSS2 | |
| SCHEMBL3016749 | 0.78 | PARP10 (0.79) | ST14F2PRSS1PRSS2PRSS3 | |
| SCHEMBL3138940 | 0.78 | HPGD (0.79) | ALDH1A1KMT2APARP15PARP14PARP10 | |
| SCHEMBL10492899 | 0.78 | PARP10 (0.53) | NQO2ST14F2PLAUPRSS1 | |
| SCHEMBL523255 | 0.78 | LMNA (0.59) | NQO2ST14F2PLAUPRSS1 | |
| SCHEMBL3315939 | 0.76 | BCL2L1 (0.65) | ALDH1A1KMT2APARP15PARP14PARP10 | |
| SCHEMBL3085721 | 0.76 | F2 (0.83) | ST14F2PLAUPRSS1PRSS2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1265866-B1 | ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF | EURO CELTIQUE SA (LU) | 2010-07-21 | — | — | EP | disclosed |
| EP-1483247-B1 | ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF | EURO CELTIQUE SA (LU) | 2009-06-24 | — | — | EP | disclosed |
| US-7229993-B2 | Aryl substituted pyrimidines and the use thereof | EURO-CELTIQUE S.A. (LU) | 2007-06-12 | — | — | US | disclosed |
| CN-1646500-A | Aryl substituted pyrimidines and the use thereof | EURO CELTIQUE SA (LU) | 2005-07-27 | — | — | CN | disclosed |
| US-6867210-B2 | Aryl substituted pyrimidines | EURO-CELTIQUE S.A. (LU) | 2005-03-15 | — | — | US | disclosed |
| US-20050043305-A1 | Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof | EURO-CELTIQUE S.A. (LU) | 2005-02-24 | — | — | US | disclosed |
| EP-1483247-A2 | ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF | Euro-Celtique S.A. (LU) | 2004-12-08 | — | — | EP | disclosed |
| US-20040192691-A1 | Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof | EURO-CELTIQUE S.A. | 2004-09-30 | — | — | US | disclosed |
| US-20030236273-A1 | Aryl substituted pyrimidines and the use thereof | EURO-CELTIQUE S.A. | 2003-12-25 | — | — | US | disclosed |
| WO-2003076414-A2 | ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF | EURO-CELTIQUE S.A. (US) | 2003-09-18 | — | — | WO | disclosed |
| CN-1422254-A | Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof | EURO CELTIQUE SA (LU) | 2003-06-04 | — | — | CN | disclosed |
| EP-1265866-A2 | ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF | Euro-Celtique S.A. (LU) | 2002-12-18 | — | — | EP | disclosed |
| US-20020040025-A1 | Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof | PURDUE PHARMA L.P. | 2002-04-04 | — | — | US | disclosed |
| WO-2001068612-A2 | ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF | EURO-CELTIQUE S.A. (LU) | 2001-09-20 | — | — | 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 (4 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-20050043305-A1 | Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof | CACNA1S, CACNA1C, KYNU | NQO2 433/4885ST14 2427/4885F2 919/4885 |
| US-20030236273-A1 | Aryl substituted pyrimidines and the use thereof | CACNA1S, CACNA1C, NCS1 | NQO2 659/4885ST14 3419/4885F2 3634/4885 |
| US-20040192691-A1 | Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof | CACNA1S, KYNU, CACNA1C | NQO2 653/4885ST14 1936/4885F2 1672/4885 |
| US-20020040025-A1 | Aryl substituted pyridines, pyrimidines, pyrazines and triazines and the use thereof | CACNA1S, KYNU, CACNA1C | NQO2 653/4885ST14 1936/4885F2 1672/4885 |
“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.