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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 1/20 | 0.48 |
| ▸ | RXRB | P28702 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | FABP7 | O15540 | 1/20 | 0.47 |
| ▸ | FABP3 | P05413 | 1/20 | 0.47 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30833341 | 0.95 | EPHX1 (0.50) | RXRARXRBEPHX1FABP7FABP3 | |
| SCHEMBL16821065 | 0.95 | EPHX1 (0.50) | RXRARXRBEPHX1FABP7FABP3 | |
| SCHEMBL379254 | 0.90 | MEN1 (0.45) | RXRARXRBEPHX1FABP7FABP3 | |
| SCHEMBL2123666 | 0.87 | MAPT (0.47) | MAPTTDP1RXRARXRBEPHX1 | |
| SCHEMBL9915697 | 0.84 | RXRA (0.43) | RXRARXRBEPHX1FABP7FABP3 | |
| SCHEMBL28005885 | 0.83 | LMNA (0.50) | MAPTTDP1 | |
| SCHEMBL19524158 | 0.82 | ESR1 (0.49) | MAPTTDP1 | |
| SCHEMBL2124788 | 0.82 | PLG (0.44) | MAPTTDP1RXRARXRB | |
| SCHEMBL4395756 | 0.81 | RXRA (0.51) | RXRARXRBEPHX1FABP7FABP3 | |
| SCHEMBL29048690 | 0.81 | PIK3CA (0.44) | MAPTTDP1ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004039762-A1 | PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2004-05-13 | — | — | WO | disclosed |