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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.52 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3441526 | 0.94 | HTT (0.54) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL30631752 | 0.84 | MAPT (0.55) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL17859344 | 0.84 | LMNA (0.60) | HTTLMNAMAPTKMT2AKDM4E | |
| SCHEMBL1434118 | 0.82 | ALDH1A1 (0.59) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL29601648 | 0.81 | ALDH1A1 (0.47) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL11784830 | 0.81 | ALDH1A1 (0.57) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL10451670 | 0.80 | KDM4E (0.49) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL9625802 | 0.80 | CYP1A2 (0.41) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL1972579 | 0.80 | MAPT (0.56) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL11784824 | 0.80 | KDM4E (0.46) | HTTLMNAMEN1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007109324-A2 | POTENT AND SELECTIVE NAV 1.7 SODIUM CHANNEL BLOCKERS | XENON PHARMACEUTICALS, INC. (CA) | 2007-09-27 | — | — | WO | disclosed |
| US-5336622-A | Competitive binding using a fluorescent dye tracer; monitoring dosage in biological fluid; sensitivity; accuracy; efficiency | ABBOTT LABORATORIES (US) | 1994-08-09 | — | — | US | disclosed |
| EP-0242847-B1 | TRACERS FOR USE IN FLECAINIDE FLUORESCENCE POLARIZATION IMMUNOASSAY | ABBOTT LABORATORIES (US) | 1993-06-02 | — | — | EP | disclosed |
| EP-0242847-A2 | Tracers for use in flecainide fluorescence polarization immunoassay | ABBOTT LABORATORIES (US) | 1987-10-28 | — | — | EP | disclosed |