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 | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
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 SCHEMBL2874562 | 1.00 | PKM (0.52) | PKMKDM4ECYP4F2CYP4A11ALDH1A1 | |
| Acetic Acid SCHEMBL9778642 | 1.00 | PKM (0.52) | PKMKDM4ECYP4F2CYP4A11ALDH1A1 | |
| Acetic Acid SCHEMBL1627225 | 1.00 | PKM (0.52) | PKMKDM4ECYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL29162182 | 0.93 | CYP4F2 (0.55) | PKMKDM4ECYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL5000137 | 0.84 | CYP4F2 (0.62) | PKMKDM4ECYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL20512103 | 0.84 | CYP4F2 (0.62) | PKMKDM4ECYP4F2CYP4A11ALDH1A1 | |
| Acetic Acid SCHEMBL2873953 | 0.83 | CYP4F2 (0.56) | PKMKDM4ECYP4F2CYP4A11ALDH1A1 | |
| Acetic Acid SCHEMBL10600414 | 0.78 | CYP4F2 (0.77) | PKMKDM4ECYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL12667953 | 0.77 | CYP4F2 (0.46) | PKMKDM4ECYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL1173913 | 0.77 | CYP4F2 (0.50) | PKMKDM4ECYP4F2CYP4A11ALDH1A1 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3682881-A1 | COMPOUND HAVING CYCLIC STRUCTURE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2020-07-22 | — | — | EP | disclosed |
| CN-101663302-B | Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes | KISSEI PHARMACEUTICAL | 2013-07-24 | — | — | CN | disclosed |
| CN-102936268-A | Process for preparing topiramate midbody acetonylidene | JIANGSU JIBEI ER PHARMACEUTICAL CO LTD | 2013-02-20 | — | — | CN | disclosed |
| WO-2010149666-A1 | METHODS FOR TREATING NEOPLASIA | MEDEXIS S.A. (GR) | 2010-12-29 | — | — | WO | disclosed |
| US-7803822-B2 | Triazole derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-28 | — | — | US | disclosed |
| US-20090105253-A1 | Triazole Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-23 | — | — | US | disclosed |
| CN-100413850-C | Chemical compounds | GLAXO GROUP LTD (GB) | 2008-08-27 | — | — | CN | disclosed |
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |
| CN-1391564-A | Chemical compounds | GLAXO GROUP LTD (GB) | 2003-01-15 | — | — | CN | disclosed |
| CN-1093861-C | 1-methylcarbapenem derivatives | SANKYO CO (JP) | 2002-11-06 | — | — | CN | disclosed |
| US-6001841-A | ANTISENSE DIAGNOSTICS, THERAPEUTICS AND RESEARCH REAGENTS. | ISIS PHARMACEUTICALS, INC. (US) | 1999-12-14 | — | — | US | disclosed |
| US-5977097-A | 1-methylcarbapenem derivatives | SANKYO COMPANY LIMITED (JP) | 1999-11-02 | — | — | US | disclosed |
| CN-1212704-A | Serine protease inhibitors | AKZO NOBEL NV (NL) | 1999-03-31 | — | — | CN | disclosed |
| EP-0900797-A1 | 1-METHYLCARBAPENEM DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1999-03-10 | — | — | EP | disclosed |
| EP-0886647-A1 | SERINE PROTEASE INHIBITORS | Akzo Nobel N.V. (NL) | 1998-12-30 | — | — | EP | disclosed |
| WO-1997031937-A1 | SERINE PROTEASE INHIBITORS | AKZO NOBEL N.V. (NL) | 1997-09-04 | — | — | WO | disclosed |
| EP-0689460-A1 | CYCLOBUTYL ANTISENSE OLIGONUCLEOTIDES, METHODS OF MAKING AND USE THEREOF | ISIS PHARMACEUTICALS, INC. (US) | 1996-01-03 | — | — | EP | disclosed |
| US-5359044-A | Diagnosis, chemical intermediates | ISIS PHARMACEUTICALS (US) | 1994-10-25 | — | — | US | disclosed |
| WO-1994019023-A1 | CYCLOBUTYL ANTISENSE OLIGONUCLEOTIDES, METHODS OF MAKING AND USE THEREOF | ISIS PHARMACEUTICALS, INC. (US) | 1994-09-01 | — | — | WO | disclosed |
| US-5254595-A | Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them | ELF SANOFI (FR) | 1993-10-19 | — | — | US | 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-20090105253-A1 | Triazole Derivative and Use Thereof | F2R, HRH4, F2RL3 | PKM 4157/4885KDM4E 3414/4885CYP4F2 1561/4885 |
“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.