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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
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 SCHEMBL106040 | 0.87 | CA2 (0.44) | CES2CES1CA1CA2TSHR | |
| Benzoic Acid SCHEMBL31501033 | 0.87 | CA2 (0.59) | CES2CES1CA1CA2TSHR | |
| SCHEMBL92023 | 0.85 | TSHR (0.53) | CES2CES1TSHRALOX15L3MBTL1 | |
| SCHEMBL1535668 | 0.85 | TSHR (0.53) | CES2CES1TSHRALOX15L3MBTL1 | |
| Benzoyl Formic Acid SCHEMBL699654 | 0.84 | CES2 (0.56) | CES2CES1CA1CA2TSHR | |
| Bromide SCHEMBL3139794 | 0.83 | TSHR (0.50) | CES2CES1TSHRALOX15L3MBTL1 | |
| Iodide SCHEMBL6930682 | 0.83 | TSHR (0.50) | CES2CES1TSHRALOX15L3MBTL1 | |
| Bromide SCHEMBL3129122 | 0.83 | TSHR (0.50) | CES2CES1TSHRALOX15L3MBTL1 | |
| Acetic Acid SCHEMBL547513 | 0.82 | FNTA (0.44) | CES2CA1CA2MAPTGAA | |
| Perchlorate SCHEMBL3136664 | 0.81 | TSHR (0.43) | CES2CES1TSHRL3MBTL1CYP1A2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6001932-A | ACRYLIC ESTER COPOLYMER WITH VINYL ETHER, VINYL ESTER COPOLYMERS FOR RUBBER BLENDS | NIPPON MEKTRON, LIMITED (JP) | 1999-12-14 | — | — | US | disclosed |
| EP-0755952-B1 | Acrylic copolymer elastomer, its blend rubber and blend rubber composition | NIPPON MEKTRON KK (JP) | 1999-10-20 | — | — | EP | disclosed |
| US-5744562-A | GOOD HEAT RESISTANCE AND AMINE RESISTANCE WITH FLUORINE-CONTAINING ELASTOMER | NIPPON MEKTRON, LIMITED (JP) | 1998-04-28 | — | — | US | disclosed |
| EP-0755952-A2 | Acrylic copolymer elastomer, its blend rubber and blend rubber composition | NIPPON MEKTRON, LTD. (JP) | 1997-01-29 | — | — | EP | disclosed |
| EP-0039365-B1 | EPICHLOROHYDRIN ELASTOMER COMPOSITIONS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1986-06-04 | — | — | EP | disclosed |
| US-4358559-A | CURABLE TO TACK-FREE ELASTOMERIC ARTICLES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1982-11-09 | — | — | US | disclosed |
| US-4343861-A | Fluoroelastomer/polyepichlorohydrin elastomer articles | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1982-08-10 | — | — | US | disclosed |
| EP-0039365-A4 | EPICHLOROHYDRIN ELASTOMER COMPOSITIONS. | MINNESOTA MINING & MFG (US) | 1982-03-03 | — | — | EP | disclosed |
| EP-0039365-A1 | EPICHLOROHYDRIN ELASTOMER COMPOSITIONS. | MINNESOTA MINING & MFG (US) | 1981-11-11 | — | — | EP | disclosed |
| US-4293663-A | SHAPING, CURING | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1981-10-06 | — | — | US | disclosed |
| US-4287322-A | POLYPHENOL CURING AGENT | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1981-09-01 | — | — | US | disclosed |
| WO-1981001150-A1 | EPICHLOROHYDRIN ELASTOMER COMPOSITIONS | MINNESOTA MINING & MFG (US) | 1981-04-30 | — | — | WO | disclosed |
| US-4233421-A | AROMATIC POLYHYDROXY CO-CURATIVE IN A THERMALLY STABLE, CORROSION RESISTANT POLYMER | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1980-11-11 | — | — | US | disclosed |