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 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31252971 | 0.96 | GPR84 (0.50) | GPR84TSHRMAPK1CYP1A2MEN1 | |
| SCHEMBL16412341 | 0.79 | LMNA (0.47) | CES2LMNAMAPTMMP9MMP8 | |
| SCHEMBL27815331 | 0.79 | LMNA (0.47) | CES2LMNAMAPTMMP9MMP8 | |
| SCHEMBL8692930 | 0.79 | LMNA (0.47) | CES2LMNAMAPTMMP9MMP8 | |
| SCHEMBL10719159 | 0.79 | NAAA (0.47) | CES2TSHRLMNANPSR1ALDH1A1 | |
| SCHEMBL31252972 | 0.78 | RARB (0.43) | GPR84MAPK1BLMALDH1A1 | |
| SCHEMBL4239370 | 0.78 | GPR84 (0.47) | GPR84CES2TSHRMEN1KMT2A | |
| SCHEMBL18139547 | 0.78 | GPR84 (0.47) | GPR84CES2TSHRMEN1KMT2A | |
| SCHEMBL18139501 | 0.78 | GPR84 (0.47) | GPR84CES2TSHRMEN1KMT2A | |
| SCHEMBL4243745 | 0.78 | GPR84 (0.47) | GPR84CES2TSHRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| JP-62089642-A | — | — | None | — | — | JP | disclosed |
| JP-S6289642-A | 3,3-DIACYLOXYPROPIONIC ACID DERIVATIVE AND PRODUCTION THEREOF | SAGAMI CHEM RES CENTER | 1987-04-24 | — | — | JP | disclosed |