Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
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 SCHEMBL443433 | 0.98 | SMN1; SMN2 (0.52) | LMNASMN1; SMN2ALDH1A1TSHRGAA | |
| Acetone SCHEMBL4283217 | 0.91 | GAA (0.54) | LMNASMN1; SMN2ALDH1A1TSHRGAA | |
| Bicarbonate SCHEMBL6755891 | 0.91 | SMN1; SMN2 (0.54) | LMNASMN1; SMN2ALDH1A1TSHRGAA | |
| Hydrogen Peroxide SCHEMBL29268503 | 0.91 | SMN1; SMN2 (0.59) | LMNASMN1; SMN2ALDH1A1TSHRGAA | |
| SCHEMBL3180429 | 0.91 | GAA (0.59) | LMNASMN1; SMN2ALDH1A1TSHRGAA | |
| Acetone SCHEMBL2978474 | 0.89 | GAA (0.52) | LMNASMN1; SMN2ALDH1A1TSHRGAA | |
| Oxalic Acid SCHEMBL7319784 | 0.89 | SMN1; SMN2 (0.52) | LMNASMN1; SMN2ALDH1A1TSHRGAA | |
| Benzene SCHEMBL5085625 | 0.89 | SMN1; SMN2 (0.64) | LMNASMN1; SMN2ALDH1A1TSHRGAA | |
| Hydrochloric Acid SCHEMBL5379306 | 0.89 | GAA (0.56) | LMNASMN1; SMN2ALDH1A1TSHRGAA | |
| SCHEMBL34 | 0.89 | GAA (0.62) | LMNASMN1; SMN2ALDH1A1TSHRGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4954552-A | BARIUM OR TITANIUM ACETYLACETONE | SHELL OIL COMPANY (US) | 1990-09-04 | — | — | US | disclosed |