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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 7/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 2/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.46 |
| ▸ | PPARG | P37231 | 7/20 | 0.46 |
| ▸ | PPARD | Q03181 | 7/20 | 0.46 |
| ▸ | PPARA | Q07869 | 7/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | TLR2 | O60603 | 2/20 | 0.46 |
| ▸ | FABP4 | P15090 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 SCHEMBL28178945 | 0.97 | TSHR (0.68) | TSHRALDH1A1TDP1AKR1B1FAAH | |
| Butyl Chloride SCHEMBL9830095 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL14719151 | 0.92 | TSHR (0.65) | TSHRALDH1A1TDP1AKR1B1FAAH | |
| Acetone SCHEMBL27529878 | 0.92 | TSHR (0.67) | TSHRALDH1A1TDP1AKR1B1FAAH | |
| Bicarbonate SCHEMBL38662423 | 0.92 | TSHR (0.67) | TSHRALDH1A1TDP1AKR1B1FAAH | |
| Acetic Acid SCHEMBL29024963 | 0.91 | TSHR (0.52) | TSHRALDH1A1TDP1AKR1B1FAAH | |
| Pyruvate SCHEMBL27923180 | 0.90 | TSHR (0.57) | TSHRALDH1A1TDP1AKR1B1FAAH | |
| Butyl Chloride SCHEMBL7820081 | 0.89 | TSHR (0.61) | TSHRALDH1A1TDP1AKR1B1FAAH | |
| Bicarbonate SCHEMBL8772568 | 0.89 | TSHR (0.72) | TSHRALDH1A1TDP1AKR1B1FAAH | |
| Bicarbonate SCHEMBL6052976 | 0.89 | TSHR (0.72) | TSHRALDH1A1TDP1AKR1B1FAAH |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107721968-A | Indeno fused ring compound | 光学转变公司 | 2018-02-23 | — | — | CN | disclosed |
| CN-104163792-B | N-picolinamide compound, preparation method and application thereof | 湖南化工研究院 | 2017-04-12 | — | — | CN | disclosed |
| CN-103328462-A | Indeno-fused ring compounds | TRANSITIONS OPTICAL INC | 2013-09-25 | — | — | CN | disclosed |
| CN-1216046-C | Improved methods of synthesis for 9-substituted hypoxanthine derivatives | MORK EPROWA AG (CH) | 2005-08-24 | — | — | CN | disclosed |
| CN-1166723-C | Polystyrene sulfonate film for low-temp. direct methanol fuel cell and preparation process thereof | 华南理工大学 | 2004-09-15 | — | — | CN | disclosed |
| CN-1449387-A | Improved methods of synthesis for 9-substituted hypoxanthine derivatives | NEOTHERAPEUTICS INC (US) | 2003-10-15 | — | — | CN | disclosed |
| EP-0799218-B1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-02-19 | — | — | EP | disclosed |
| CN-1385459-A | Polystyrene sulfonate film for low-temp. direct methanol fuel cell and preparation process thereof | HUA NAN SCIENCE AND ENGINEERIN (CN) | 2002-12-18 | — | — | CN | disclosed |
| CN-1095748-C | Aromatic polyamide film and magnetic recording media made by using same | TORAY INDUSTRIES (JP) | 2002-12-11 | — | — | CN | disclosed |
| US-6222048-B1 | AS ANTIINFLAMMATORY, ANTIPYRETIC AND ANALGESIC AGENTS; INHIBITS HORMONE INDUCED UTERINE CONTRACTION; ANTICANCER PROPERTIES; SIDE EFFECT REDUCTION | MERCK FROSST CANADA & CO. (CA) | 2001-04-24 | — | — | US | disclosed |
| CN-1242739-A | Aromatic polyamide film and magnetic recording media made by using same | TORAY INDUSTRIES (JP) | 2000-01-26 | — | — | CN | disclosed |
| US-5939419-A | HYPOTENSIVE AGENTS AND BRONCHODILATOR AGENTS | SCHERING-PLOUGH CORPORATION (US) | 1999-08-17 | — | — | US | disclosed |
| EP-0799218-A1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996019469-A1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-06-27 | — | — | WO | disclosed |
| EP-0686157-A1 | 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM | SCHERING CORPORATION (US) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994019351-A1 | 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM | SCHERING CORPORATION (US) | 1994-09-01 | — | — | WO | disclosed |
| EP-0236628-B1 | INHIBITION OF THE 5-LIPOXYGENASE PATHWAY | SMITHKLINE BEECHAM CORPORATION (US) | 1992-12-02 | — | — | EP | disclosed |
| CN-1053919-A | New imidazolium compounds, its preparation method and based on medicament and some intermediate product of these compounds | HOECHST AG (DE) | 1991-08-21 | — | — | CN | disclosed |
| EP-0236628-A1 | Inhibition of the 5-lipoxygenase pathway | SMITHKLINE BEECHAM CORPORATION (US) | 1987-09-16 | — | — | EP | disclosed |