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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | PAM | P19021 | 2/20 | 0.42 |
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 SCHEMBL4859810 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL988009 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL6760313 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL5961214 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL988260 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL15993372 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL1149338 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL5722467 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL1816394 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL991294 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220289732-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2022-09-15 | — | — | US | disclosed |
| EP-4010334-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | Novartis AG (CH) | 2022-06-15 | — | — | EP | disclosed |
| WO-2021028806-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |
| WO-2021026672-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |
| US-9310660-B2 | Organic compound and electrochromic element including the same | CANON KABUSHIKI KAISHA (JP) | 2016-04-12 | — | — | US | disclosed |
| US-20150153624-A1 | NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC ELEMENT INCLUDING THE SAME | CANON KABUSHIKI KAISHA (JP) | 2015-06-04 | — | — | US | disclosed |
| US-20140221639-A1 | RADIOLABELED NUCLEOSIDE ANALOGUE, AND PREPARATION METHOD AND USE THEREOF | INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL, EXECUTIVE YUAN (TW) | 2014-08-07 | — | — | US | disclosed |
| CN-103917545-A | BTK inhibitors | MERCK SHARP & DOHME | 2014-07-09 | — | — | CN | disclosed |
| EP-2581373-A1 | BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE | Fujita, Takashi (JP) | 2013-04-17 | — | — | EP | disclosed |
| US-20120178919-A1 | RADIOLABELED NUCLEOSIDE ANALOGUE, AND PREPARATION METHOD AND USE THEREOF | NATIONAL YANG-MING UNIVERSITY (TW) | 2012-07-12 | — | — | US | disclosed |
| US-20050059614-A1 | Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof | KISSEI PHARMACEUTICAL CO., LTD. | 2005-03-17 | — | — | US | disclosed |
| US-20040138148-A1 | Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2004-07-15 | — | — | US | disclosed |
| US-20040063170-A1 | Glucopyranosyloxybenzyl benzene derivatives, medicinal compositions containing the same and intermediates in the production thereof | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1367060-A1 | GLUCOPYRANOSYLOXYBENZYLBENZENE DERIVATIVES AND MEDICINAL USE THEREOF | Kissei Pharmaceutical Co., Ltd. (JP) | 2003-12-03 | — | — | EP | disclosed |
| EP-1344780-A1 | GLUCOPYRANOSYLOXYBENZYL BENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF | Kissei Pharmaceutical Co., Ltd. (JP) | 2003-09-17 | — | — | EP | disclosed |
| CN-1100032-C | 3,4-disubstituted phenylethanolaminotetra lincarboxamide derivatives | KISSEI PHARMACEUTICAL (JP) | 2003-01-29 | — | — | CN | disclosed |
| EP-0882704-B1 | 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES | KISSEI PHARMACEUTICAL (JP) | 2002-10-09 | — | — | EP | disclosed |
| US-6133266-A | 3,4-disubstituted phenylethanolaminotetralincarboxamide derivatives | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2000-10-17 | — | — | US | disclosed |
| CN-1216526-A | 3,4-disubstituted phenylethanolaminotetra lincarboxamide derivatives | KISSEI PHARMACEUTICAL (JP) | 1999-05-12 | — | — | CN | disclosed |
| EP-0882704-A1 | 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 1998-12-09 | — | — | 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 (6 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-20040138148-A1 | Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof | SLC5A2, SLC5A1, SLC2A1 | CYP1A2 234/4885CYP4F2 248/4885CYP4A11 270/4885 |
| US-20150153624-A1 | NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC ELEMENT INCLUDING THE SAME | ETV6, H1-0, HCN2 | CYP1A2 84/4885CYP4F2 137/4885CYP4A11 354/4885 |
| US-20120178919-A1 | RADIOLABELED NUCLEOSIDE ANALOGUE, AND PREPARATION METHOD AND USE THEREOF | TYMP, TK1, NUDT1 | CYP1A2 1588/4885CYP4F2 2698/4885CYP4A11 2712/4885 |
| US-20140221639-A1 | RADIOLABELED NUCLEOSIDE ANALOGUE, AND PREPARATION METHOD AND USE THEREOF | TYMP, TK1, NUDT1 | CYP1A2 1588/4885CYP4F2 2698/4885CYP4A11 2712/4885 |
| US-20220289732-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | WDR5, WDR77, WDR1 | CYP1A2 4786/4885CYP4F2 4027/4885CYP4A11 4324/4885 |
| US-20050059614-A1 | Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof | SLC5A2, SLC5A1, SLC2A2 | CYP1A2 309/4885CYP4F2 258/4885CYP4A11 329/4885 |
“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.