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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 4/20 | 0.54 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL2761990 | 0.88 | BBOX1 (0.57) | BBOX1DNM1HSP90AA1PSMD14PLA2G1B | |
| Acetic Acid SCHEMBL2920415 | 0.87 | DNM1 (0.46) | BBOX1DNM1CA1HSP90AA1PSMD14 | |
| SCHEMBL1598462 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL17710451 | 0.82 | — | — | |
| Acetic Acid SCHEMBL5844598 | 0.82 | BBOX1 (0.52) | BBOX1CA1 | |
| Fluoride Ion SCHEMBL20213752 | 0.82 | — | — | |
| Water SCHEMBL1333602 | 0.82 | — | — | |
| Bromide SCHEMBL3718607 | 0.82 | — | — | |
| Water SCHEMBL27488837 | 0.82 | — | — | |
| SCHEMBL16700961 | 0.81 | BBOX1 (0.43) | BBOX1DNM1HSP90AA1PSMD14PLA2G1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010136105-A2 | AMMONIUMCARBOXYLATES | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | claimed |
| WO-2010136105-A2 | AMMONIUMCARBOXYLATES | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | disclosed |