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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.39 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 SCHEMBL11049476 | 0.93 | EPHX2 (0.51) | EPHX2APPALDH1A1HSD17B10AKR1B1 | |
| Acetic Acid SCHEMBL29064775 | 0.91 | EPHX2 (0.54) | EPHX2APPALDH1A1HSD17B10GPR84 | |
| SCHEMBL31512497 | 0.89 | — | — | |
| SCHEMBL10012319 | 0.89 | — | — | |
| SCHEMBL5015 | 0.89 | — | — | |
| Acetic Acid SCHEMBL28884856 | 0.89 | EPHX2 (0.53) | EPHX2ALDH1A1HSD17B10GPR84PPARG | |
| Acetic Acid SCHEMBL29039147 | 0.89 | EPHX2 (0.53) | EPHX2ALDH1A1HSD17B10GPR84PPARG | |
| Acetic Acid SCHEMBL28884855 | 0.89 | EPHX2 (0.53) | EPHX2ALDH1A1HSD17B10GPR84PPARG | |
| Benzene SCHEMBL27514240 | 0.87 | APP (0.46) | EPHX2APPALDH1A1HSD17B10NPC1 | |
| Phosphine SCHEMBL2572785 | 0.87 | — | — |
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 386 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2305624-B1 | Self-degradable explosive device | MAXAMCORP HOLDING SL (ES) | 2017-09-27 | — | — | EP | claimed |
| US-8585841-B2 | Systems and methods for chemical and/or mechanical remediation of nitro compounds and nitrate esters | MAXAMCORP HOLDING S.L. (ES) | 2013-11-19 | — | — | US | claimed |
| US-8529955-B2 | Methods of treatment using a gastric retained gabapentin dosage | DEPOMED, INC. (US) | 2013-09-10 | — | — | US | claimed |
| US-8440232-B2 | Methods of treatment using a gastric retained gabapentin dosage | DEPOMED, INC. (US) | 2013-05-14 | — | — | US | claimed |
| EP-2445852-A1 | SYSTEMS AND METHODS FOR CHEMICAL AND/OR MECHANICAL REMEDIATION OF NITRO COMPOUNDS AND NITRATE ESTERS | Maxamcorp Holding, S.L. (ES) | 2012-05-02 | — | — | EP | claimed |
| US-20120064168-A1 | METHODS OF TREATMENT USING A GASTRIC RETAINED GABEPENTIN DOSAGE | DEPOMED, INC. (US) | 2012-03-15 | — | — | US | claimed |
| US-8119166-B2 | Methods of treatment using a gastric retained gabapentin dosage | DEPOMED, INC. (US) | 2012-02-21 | — | — | US | claimed |
| US-20120027823-A1 | METHODS OF TREATMENT USING A GASTRIC RETAINED GABAPENTIN DOSAGE | DEPOMED, INC. (US) | 2012-02-02 | — | — | US | claimed |
| EP-2305624-A1 | Self-degradable explosive formulations | Maxamcorp Holding, S.L. (ES) | 2011-04-06 | — | — | EP | claimed |
| US-20110041718-A1 | SYSTEMS AND METHODS FOR CHEMICAL AND/OR MECHANICAL REMEDIATION OF NITRO COMPOUNDS AND NITRATE ESTERS | MAXAMCORP HOLDING S.L. (ES) | 2011-02-24 | — | — | US | claimed |
| WO-2004112746-A1 | CONTROLLED RELEASE-DRUG DELIVERY SYSTEM FOR ORAL ADMINISTRATION | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2004-12-29 | — | — | WO | claimed |
| US-20040175428-A1 | Controlled release by extrusion of solid amorphous dispersions of drugs | PFIZER INC. | 2004-09-09 | — | — | US | claimed |
| US-20040137156-A1 | Coated solid dosage form and method for preparing same | LEE ERNEST J | 2004-07-15 | — | — | US | claimed |
| US-6706283-B1 | INCREASING BIOAVAILABILITY OF SPARINGLY WATER SOLUBLE ACTIVE INGREDIENTS; CONTROLLED INFLUX OF WATER TO CORE USING NON-DISSOLVING, NONERODING COATING | PFIZER INC | 2004-03-16 | — | — | US | claimed |
| WO-2004010982-A1 | METHOD OF PREPARING SOLID DOSAGE FORMS COATED IN TWO LAYERS COMPRISING A WATER-INSOLUBLE POLYMER AND A WATER-SOLUBLE PORE FORMER | PHARMACIA CORPORATION (US) | 2004-02-05 | — | — | WO | claimed |
| US-6365185-B1 | ORAL TABLET FOR DELIVERING BENEFICIAL AGENT TO MAMMAL COMPRISING CORE COMPARTMENT HAVING BENEFICIAL AGENT SURROUNDED BY UNITARY SELF-DESTRUCTING SHELL COMPRISING PLURALITY OF DISINTEGRANT PARTICLES DISPERSED WITHIN SEMIPERMEABLE MATRIX | UNIVERSITY OF CINCINNATI | 2002-04-02 | — | — | US | claimed |
| EP-1027888-A2 | Osmotic system for delivery of solid amorphous dispersions of drugs | Pfizer Products Inc. (US) | 2000-08-16 | — | — | EP | claimed |
| US-5612059-A | CELLULOSE DERIVATIVE, DRUG DELIVERY | PFIZER INC. (US) | 1997-03-18 | — | — | US | claimed |
| US-5458887-A | OF AN OSMOTIC CORE CONTAINING A DRUG AND A WATER SWELLABLE COMPONENT AND A WATER RESISTANT POLYMER COATING CONTAINING A COMPOUND WHICH DISSOLVES IN GASTROINTESTINAL FLUID | ANDRX PHARMACEUTICALS, INC. (US) | 1995-10-17 | — | — | US | claimed |
| US-4761289-A | Sustained release implant and method for preparing same | INTERNATIONAL MINERALS & CHEMICAL CORP. (US) | 1988-08-02 | — | — | US | claimed |