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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 5/20 | 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 SCHEMBL9470199 | 1.00 | MEN1 (0.61) | MEN1KMT2ATSHRCASP1SMN1; SMN2 | |
| SCHEMBL2199843 | 0.89 | MEN1 (0.62) | MEN1KMT2ATSHRCASP1SMN1; SMN2 | |
| SCHEMBL30479502 | 0.89 | MEN1 (0.62) | MEN1KMT2ATSHRCASP1SMN1; SMN2 | |
| SCHEMBL17434723 | 0.89 | MEN1 (0.62) | MEN1KMT2ATSHRCASP1SMN1; SMN2 | |
| SCHEMBL2199841 | 0.89 | MEN1 (0.62) | MEN1KMT2ATSHRCASP1SMN1; SMN2 | |
| Acetic Acid SCHEMBL8204291 | 0.84 | KMT2A (0.86) | MEN1KMT2ATSHRCASP1SMN1; SMN2 | |
| SCHEMBL11698630 | 0.81 | KMT2A (0.49) | MEN1KMT2ATSHRCASP1SMN1; SMN2 | |
| SCHEMBL8076140 | 0.77 | MEN1 (0.62) | MEN1KMT2ATSHRCASP1SMN1; SMN2 | |
| SCHEMBL9470229 | 0.77 | MAPT (0.51) | MEN1KMT2ATSHRCASP1SMN1; SMN2 | |
| SCHEMBL11699368 | 0.77 | MAPT (0.51) | MEN1KMT2ATSHRCASP1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5256693-A | Synergistic mixture of alpha-chlorobenzaldoxime acetate and 2-bromo-2-nitro-1,3-diacetyloxypropane | SOMAR CORPORATION (JP) | 1993-10-26 | — | — | US | disclosed |
| EP-0524716-A1 | Germicidal composition | SOMAR CORPORATION (JP) | 1993-01-27 | — | — | EP | disclosed |