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 | 0.38 |
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | FABP3 | P05413 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 6/20 | 0.38 |
| ▸ | PPARD | Q03181 | 6/20 | 0.38 |
| ▸ | PPARA | Q07869 | 6/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TLR2 | O60603 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 SCHEMBL11301673 | 0.91 | CES1 (0.41) | CES2CES1CA2ALDH1A1CA1 | |
| Acetic Acid SCHEMBL2695510 | 0.91 | CES1 (0.48) | CES2CES1CA2FABP3PPARG | |
| Acetic Acid SCHEMBL15529625 | 0.91 | CES1 (0.48) | CES2CES1CA2FABP3PPARG | |
| Acetic Acid SCHEMBL15529776 | 0.91 | CES1 (0.48) | CES2CES1CA2FABP3PPARG | |
| Acetic Acid SCHEMBL15529765 | 0.91 | CES1 (0.48) | CES2CES1CA2FABP3PPARG | |
| Acetic Acid SCHEMBL674336 | 0.91 | CES1 (0.48) | CES2CES1CA2FABP3PPARG | |
| Acetic Acid SCHEMBL15529874 | 0.91 | CES1 (0.48) | CES2CES1CA2FABP3PPARG | |
| Acetic Acid SCHEMBL11052089 | 0.89 | CES1 (0.46) | CES2CES1CA2FABP3TSHR | |
| Methacrylic Acid SCHEMBL10895422 | 0.88 | TSHR (0.42) | CES2CES1CA2FABP3TSHR | |
| Methacrylic Acid SCHEMBL10389995 | 0.88 | TSHR (0.42) | CES2CES1CA2FABP3TSHR |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4828753-A | Storage-stable organic solutions of polyisocyanates | RHONE-POULENC SPECIALITIES CHIMIQUES (FR) | 1989-05-09 | — | — | US | claimed |
| US-5593732-A | Nontoxic antifouling systems | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1997-01-14 | — | — | US | disclosed |
| US-5449553-A | Nontoxic antifouling systems | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1995-09-12 | — | — | US | disclosed |
| US-4976091-A | Method and apparatus for filling tubes | WACKER SILICONES CORPORATION (US) | 1990-12-11 | — | — | US | disclosed |
| EP-0300380-B1 | ELECTRICALLY CONDUCTIVE COMPOSITIONS | Wacker Silicones Corporation (US) | 1990-11-07 | — | — | EP | disclosed |
| EP-0393687-A1 | Method and apparatus for filling tubes | WACKER-CHEMIE GMBH (DE) | 1990-10-24 | — | — | EP | disclosed |
| US-4828753-A | Storage-stable organic solutions of polyisocyanates | RHONE-POULENC SPECIALITIES CHIMIQUES (FR) | 1989-05-09 | — | — | US | disclosed |
| EP-0183056-B1 | THERMALLY CONDUCTIVE ROOM TEMPERATURE VULCANIZABLE COMPOSITIONS | Wacker Silicones Corporation (US) | 1989-04-19 | — | — | EP | disclosed |
| EP-0300380-A1 | Electrically conductive compositions | Wacker Silicones Corporation (US) | 1989-01-25 | — | — | EP | disclosed |
| US-4777205-A | ENDCAPPED, CROSSLINKED POLYSILOXANES; SILVER-COATED MICA, SILANE CROSSLINKERS, CARBON BLACK STABILIZER | WACKER SILICONES CORPORATION (US) | 1988-10-11 | — | — | US | disclosed |
| EP-0183056-A2 | Thermally conductive room temperature vulcanizable compositions | Wacker Silicones Corporation (US) | 1986-06-04 | — | — | EP | disclosed |
| US-4585822-A | POLYSILOXANES FILLED WITH SILICON NITRIDE | SWS SILICONES CORPORATION (US) | 1986-04-29 | — | — | US | disclosed |
| US-4133938-A | ACRYLOYLOXYALKYLALKOXYSILANE-ACRYLATE REACTION PRODUCT, MASONRY | SWS SILICONES CORPORATION (US) | 1979-01-09 | — | — | US | disclosed |
| US-4123472-A | POLYMERIZING ACRYLIC ESTERS AND NITRILES IN THE PRESENCE OF ORGANOPOLYSILOXANES AND FREE RADICAL CATALYST, CROSSLINKING | SWS SILICONES CORPORATION (US) | 1978-10-31 | — | — | US | disclosed |