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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.43 |
| ▸ | CES1 | P23141 | 5/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3201160 | 0.87 | LTA4H (0.38) | CES2CES1TSHRTDP1TP53 | |
| SCHEMBL3211097 | 0.79 | DNM1 (0.40) | CES2CES1NAAAHTTTP53 | |
| SCHEMBL3199450 | 0.79 | DNM1 (0.40) | CES2CES1NAAAHTTTP53 | |
| SCHEMBL2740822 | 0.78 | CES1 (0.44) | CES2CES1NAAATDP1L3MBTL1 | |
| SCHEMBL11301243 | 0.75 | DNM1 (0.35) | CES2CES1NAAATSHRHTT | |
| Valeric Acid SCHEMBL106459 | 0.75 | CA1 (0.55) | CES2CES1 | |
| SCHEMBL4237944 | 0.74 | TP53 (0.38) | CES2CES1TSHRALDH1A1TP53 | |
| Acetic Acid SCHEMBL106040 | 0.74 | CA2 (0.44) | CES2CES1TSHRTDP1ALDH1A1 | |
| Hexanoate SCHEMBL105634 | 0.74 | CES2 (0.53) | CES2CES1 | |
| SCHEMBL31461090 | 0.72 | ESR1 (0.47) | TSHRALDH1A1TP53CYP3A4MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4897450-A | PAINT COATING COMPRISING HYDROXYL-FUNCTIONAL POLYESTER, A BETA-HYDROXY ESTER ACRYLIC COPOLYMER AND AN EPOXY-BASEd CATALYST SYSTEM; HARDNESS; IMPACT STRENGTH | THE GLIDDEN COMPANY (US) | 1990-01-30 | — | — | US | disclosed |
| US-4749728-A | HAVING HYDROXY-FUNCTIONAL AND CARBOXYLIC ESTER-FUNCTIONAL RESINS OR COMPONENTS | THE GLIDDEN COMPANY (US) | 1988-06-07 | — | — | US | disclosed |
| US-4742096-A | EPOXIDE AND PHOSPHONIUM OR AMMONIUM SALT | THE GLIDDEN COMPANY (US) | 1988-05-03 | — | — | US | disclosed |
| EP-0252289-A2 | Transesterification catalysts and thermoset coatings | THE GLIDDEN COMPANY (US) | 1988-01-13 | — | — | EP | disclosed |