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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 14/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | NEK2 | P51955 | 1/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.44 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1951550 | 1.00 | MET (0.49) | METMEN1KMT2APDE4APDE4B | |
| SCHEMBL3632471 | 0.95 | MET (0.50) | METMEN1KMT2APDE4APDE4B | |
| Acetic Acid SCHEMBL3046972 | 0.91 | MET (0.60) | METMEN1KMT2APDE4APDE4B | |
| SCHEMBL13089760 | 0.86 | MET (0.61) | METMEN1KMT2ACHEK1NEK2 | |
| SCHEMBL3063290 | 0.83 | MET (0.49) | METMEN1KMT2ACHEK1NEK2 | |
| SCHEMBL13089766 | 0.83 | MET (0.48) | METMEN1KMT2APDE4APDE4B | |
| Acetic Acid SCHEMBL3092222 | 0.83 | MET (0.58) | METHDAC1 | |
| SCHEMBL2469402 | 0.79 | MET (0.53) | METMEN1KMT2ACHEK1NEK2 | |
| SCHEMBL13152352 | 0.78 | MET (0.63) | METHDAC1 | |
| SCHEMBL4130448 | 0.78 | MET (0.69) | METMEN1KMT2ACHEK1NEK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101743241-B | Pyridazinone derivates | MERCK PATENT GMBH | 2013-12-25 | — | — | CN | disclosed |