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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | PLG | P00747 | 3/20 | 0.41 |
| ▸ | KLK1 | P06870 | 2/20 | 0.41 |
| ▸ | KLK6 | Q92876 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7948005 | 0.91 | TRPA1 (0.52) | NPC1RAB9ACSNK2A1TRPA1IDO1 | |
| SCHEMBL7949070 | 0.89 | NPC1 (0.44) | NPC1RAB9ACSNK2A1TRPA1IDO1 | |
| Acetic Acid SCHEMBL7951790 | 0.82 | CSNK2A1 (0.50) | NPC1RAB9ACSNK2A1TRPA1IDO1 | |
| SCHEMBL3174922 | 0.78 | NPC1 (0.66) | NPC1RAB9ACSNK2A1TRPA1IDO1 | |
| Acetic Acid SCHEMBL316893 | 0.76 | TRPA1 (0.76) | CSNK2A1TRPA1ALOX15MAPTHPGD | |
| SCHEMBL29495480 | 0.74 | ALDH1A1 (0.57) | NPC1RAB9ACSNK2A1TRPA1IDO1 | |
| SCHEMBL760290 | 0.74 | ALDH1A1 (0.57) | NPC1RAB9ACSNK2A1TRPA1IDO1 | |
| SCHEMBL168869 | 0.74 | CSNK2A1 (0.69) | NPC1RAB9ACSNK2A1TRPA1MAPT | |
| SCHEMBL7953589 | 0.74 | TRPA1 (0.52) | NPC1RAB9ACSNK2A1TRPA1IDO1 | |
| SCHEMBL7941793 | 0.73 | CSNK2A1 (0.44) | NPC1RAB9ACSNK2A1TRPA1IDO1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6255517-B1 | 6-SULFONYLOXYISOPROPENYL-M-CRESOL AND ESTERS | Zee, Ok Pyo (KR) | 2001-07-03 | — | — | US | disclosed |