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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | PAM | P19021 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 SCHEMBL18104043 | 1.00 | MEN1 (0.48) | MEN1KMT2AMAPTATML3MBTL1 | |
| Acetic Acid SCHEMBL1273606 | 1.00 | MEN1 (0.48) | MEN1KMT2AMAPTATML3MBTL1 | |
| Acetic Acid SCHEMBL6697326 | 0.99 | MEN1 (0.49) | MEN1KMT2AMAPTATML3MBTL1 | |
| Acetic Acid SCHEMBL18104019 | 0.99 | MEN1 (0.49) | MEN1KMT2AMAPTATML3MBTL1 | |
| Acetic Acid SCHEMBL3257080 | 0.96 | MEN1 (0.45) | MEN1KMT2AMAPTATML3MBTL1 | |
| SCHEMBL14246460 | 0.96 | MEN1 (0.48) | MEN1KMT2AMAPTATML3MBTL1 | |
| Acetic Acid SCHEMBL5604746 | 0.94 | MEN1 (0.46) | MEN1KMT2AMAPTATML3MBTL1 | |
| Acetic Acid SCHEMBL5544895 | 0.93 | MEN1 (0.43) | MEN1KMT2AMAPTATML3MBTL1 | |
| Acetic Acid SCHEMBL169173 | 0.92 | MEN1 (0.44) | MEN1KMT2AMAPTATML3MBTL1 | |
| Acetic Acid SCHEMBL6111495 | 0.92 | MEN1 (0.44) | MEN1KMT2AMAPTATML3MBTL1 |
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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110023315-A | Novel compound or pharmacologically acceptable salt thereof | 国立研究开发法人理化学研究所 | 2019-07-16 | — | — | CN | disclosed |
| EP-2358689-B9 | BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS | TAKEDA PHARMACEUTICAL (JP) | 2016-08-03 | — | — | EP | disclosed |
| EP-2184285-B1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-11-04 | — | — | EP | disclosed |
| EP-2358689-B1 | BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS | TAKEDA PHARMACEUTICAL (JP) | 2015-09-30 | — | — | EP | disclosed |
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| EP-2399921-B1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-08-12 | — | — | EP | disclosed |
| US-9090601-B2 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| EP-2098513-B1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-01-21 | — | — | EP | disclosed |
| US-8895551-B2 | Acrylamide compounds and the use thereof | SHIONOGI & CO., LTD. (JP) | 2014-11-25 | — | — | US | disclosed |
| US-8895591-B2 | Tricyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-11-25 | — | — | US | disclosed |
| EP-0674643-A1 | COUMARIN DERIVATIVES AS RETROVIRAL INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-10-04 | — | — | EP | disclosed |
| EP-0674643-A4 | COUMARIN DERIVATIVES AS RETROVIRAL INHIBITORS. | SMITHKLINE BEECHAM CORP (US) | 1995-08-08 | — | — | EP | disclosed |
| CN-1097740-A | 3-acyl group-2-oxindole-1-benzamide type prodrugs of antiinflammatory | PFIZER (US) | 1995-01-25 | — | — | CN | disclosed |
| WO-1994014789-A1 | COUMARIN DERIVATIVES AS RETROVIRAL INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-07-07 | — | — | WO | disclosed |
| EP-0362816-B1 | Cyclopenteneheptanoic acid derivatives and method of preparation thereof | SEARLE & CO (US) | 1993-11-18 | — | — | EP | disclosed |
| CN-1075717-A | Benzodiazepine * derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 1993-09-01 | — | — | CN | disclosed |
| US-4952710-A | STARTING MATERIAL FOR OPTICALLY ACTIVE PROSTAGLANDINS | G. D. SEARLE & CO. (US) | 1990-08-28 | — | — | US | disclosed |
| EP-0365089-A2 | 2-Aryl-5(3-methoxy-5-(hydroxypropylsulfonyl)-4-propoxyphenyl) tetrahydrothiophen and analogs | MERCK & CO. INC. (US) | 1990-04-25 | — | — | EP | disclosed |
| EP-0362816-A1 | Cyclopenteneheptanoic acid derivatives and method of preparation thereof | G.D. Searle & Co. (US) | 1990-04-11 | — | — | EP | disclosed |
| US-4749797-A | Tetra-alkyl-2,2,5,5-cyclohexanone-4-01-1 compounds and their sulphonyl derivatives, the process and the intermediates for preparing them and their use in the synthesis of cis-cyclopropane lactones | ROUSSEL UCLAF (FR) | 1988-06-07 | — | — | US | disclosed |