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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL10681186 | 0.88 | FAAH (0.38) | CES1CA1CES2 | |
| Acetic Acid SCHEMBL9807040 | 0.86 | CES1 (0.41) | CES1CA1CES2ALDH1A1TP53 | |
| Butyric Acid SCHEMBL11648017 | 0.85 | FFAR3 (0.58) | CES1CA1CES2FFAR3HDAC3 | |
| Fluoroacetate SCHEMBL10481843 | 0.85 | CASP1 (0.44) | CES1CA1CES2ALDH1A1TP53 | |
| Trifluoroacetic Acid SCHEMBL9810171 | 0.83 | FAAH (0.41) | CES1CA1CES2 | |
| Acetic Acid SCHEMBL23327569 | 0.80 | CES1 (0.44) | CES1CA1CES2ALDH1A1FFAR3 | |
| Acetic Acid SCHEMBL62981 | 0.80 | CES1 (0.44) | CES1CA1CES2ALDH1A1FFAR3 | |
| Acetic Acid SCHEMBL11663016 | 0.80 | CES1 (0.44) | CES1CA1CES2ALDH1A1FFAR3 | |
| Acetic Acid SCHEMBL10615948 | 0.76 | CES1 (0.41) | CES1CA1CES2ALDH1A1FFAR3 | |
| Acetic Acid SCHEMBL11129903 | 0.76 | CES1 (0.41) | CES1CA1CES2ALDH1A1FFAR3 |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9593413-B2 | Composite materials for battery applications | UCHICAGO ARGONNE, LLC (US) | 2017-03-14 | — | — | US | claimed |
| WO-2012151094-A2 | COMPOSITE MATERIALS FOR BATTERY APPLICATIONS | UCHICAGO ARGONNE, LLC (US) | 2012-11-08 | — | — | WO | claimed |
| US-20120282527-A1 | COMPOSITE MATERIALS FOR BATTERY APPLICATIONS | UCHICAGO ARGONNE, LLC | 2012-11-08 | — | — | US | claimed |
| EP-0186481-B1 | IMPROVED CHEMICAL VAPOR DEPOSITION METHOD OF PRODUCING FLUORINE-DOPED TIN OXIDE COATINGS | M & T CHEMICALS, INC. (US) | 1990-05-23 | — | — | EP | claimed |
| EP-0158399-B1 | LIQUID COATING COMPOSITION FOR PRODUCING HIGH QUALITY, HIGH PERFORMANCE FLUORINE-DOPED TIN OXIDE COATINGS | M & T CHEMICALS, INC. (US) | 1988-11-02 | — | — | EP | claimed |
| US-4731256-A | Liquid coating composition for producing high quality, high performance fluorine-doped tin oxide coatings | M&T CHEMICALS INC. (US) | 1988-03-15 | — | — | US | claimed |
| US-4696837-A | Chemical vapor deposition method of producing fluorine-doped tin oxide coatings | M&T CHEMICALS INC. (US) | 1987-09-29 | — | — | US | claimed |
| US-4601917-A | CHEMICAL VAPOR DEPOSITION | M&T CHEMICALS INC. (US) | 1986-07-22 | — | — | US | claimed |
| EP-0186481-A2 | Improved chemical vapor deposition method of producing fluorine-doped tin oxide coatings | M & T CHEMICALS, INC. (US) | 1986-07-02 | — | — | EP | claimed |
| US-4590096-A | USING ORGANOTIN COMPOUND AND ORGANIC FLUORINE DOPANT-CONTROLLING HUMIDITY OF CARRIER GAS STREAM | M&T CHEMICALS INC. (US) | 1986-05-20 | — | — | US | claimed |
| US-9593413-B2 | Composite materials for battery applications | UCHICAGO ARGONNE, LLC (US) | 2017-03-14 | — | — | US | disclosed |
| WO-2012151094-A2 | COMPOSITE MATERIALS FOR BATTERY APPLICATIONS | UCHICAGO ARGONNE, LLC (US) | 2012-11-08 | — | — | WO | disclosed |
| US-20120282527-A1 | COMPOSITE MATERIALS FOR BATTERY APPLICATIONS | UCHICAGO ARGONNE, LLC | 2012-11-08 | — | — | US | disclosed |
| EP-2082996-A1 | Improved method for depositing a metal-containing coating on a substrate | Gulbrandsen Chemicals, Inc. (US) | 2009-07-29 | — | — | EP | disclosed |
| US-20080152804-A1 | Method for depositing a metal-containing coating on a substrate | GULBRANDSEN CHEMICALS, INC. (US) | 2008-06-26 | — | — | US | disclosed |
| US-4696837-A | Chemical vapor deposition method of producing fluorine-doped tin oxide coatings | M&T CHEMICALS INC. (US) | 1987-09-29 | — | — | US | disclosed |
| US-4601917-A | CHEMICAL VAPOR DEPOSITION | M&T CHEMICALS INC. (US) | 1986-07-22 | — | — | US | disclosed |
| EP-0186481-A2 | Improved chemical vapor deposition method of producing fluorine-doped tin oxide coatings | M & T CHEMICALS, INC. (US) | 1986-07-02 | — | — | EP | disclosed |
| US-4590096-A | USING ORGANOTIN COMPOUND AND ORGANIC FLUORINE DOPANT-CONTROLLING HUMIDITY OF CARRIER GAS STREAM | M&T CHEMICALS INC. (US) | 1986-05-20 | — | — | US | disclosed |
| EP-0158399-A2 | Liquid coating composition for producing high quality, high performance fluorine-doped tin oxide coatings | M & T CHEMICALS, INC. (US) | 1985-10-16 | — | — | EP | disclosed |