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 | 0.41 |
| ▸ | CES2 | O00748 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | FABP3 | P05413 | 6/20 | 0.44 |
| ▸ | PPARG | P37231 | 4/20 | 0.41 |
| ▸ | PPARD | Q03181 | 4/20 | 0.41 |
| ▸ | PPARA | Q07869 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7543966 | 0.77 | GPR84 (0.52) | CES2CES1FABP3PPARGPPARD | |
| Acetic Acid SCHEMBL14937855 | 0.76 | GPR84 (0.47) | CES2CES1FABP3PPARGPPARD | |
| Acetic Acid SCHEMBL1268601 | 0.76 | CA2 (0.39) | CES2CES1FABP3GPR84MEN1 | |
| Acetic Acid SCHEMBL11201671 | 0.76 | CA2 (0.39) | CES2CES1FABP3GPR84MEN1 | |
| Octane SCHEMBL28390058 | 0.76 | CES2 (0.60) | CES2CES1PPARGPPARDPPARA | |
| SCHEMBL27744173 | 0.75 | CES2 (0.50) | CES2CES1FABP3PPARGPPARD | |
| SCHEMBL27282017 | 0.75 | CES2 (0.50) | CES2CES1FABP3PPARGPPARD | |
| SCHEMBL27563530 | 0.75 | CES2 (0.50) | CES2CES1FABP3PPARGPPARD | |
| SCHEMBL27414313 | 0.75 | CES2 (0.50) | CES2CES1FABP3PPARGPPARD | |
| Octanoic Acid SCHEMBL9657395 | 0.74 | CA1 (0.73) | CES2CES1FABP3GPR84 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9062137-B2 | Block copolymer and antistatic agent comprising same | TOHO CHEMICAL INDUSTRY CO., LTD. (JP) | 2015-06-23 | — | — | US | disclosed |
| US-20130123434-A1 | BLOCK COPOLYMER AND ANTISTATIC AGENT COMPRISING SAME | TOHO CHEMICAL INDUSTRY CO., LTD. (JP) | 2013-05-16 | — | — | US | disclosed |