Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL2568997 | 0.91 | ALDH1A1 (0.40) | ALDH1A1TDP1TSHRLMNATP53 | |
| Acetone SCHEMBL4797408 | 0.88 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRLMNATHPO | |
| Isopropyl Alcohol SCHEMBL2801835 | 0.88 | TSHR (0.43) | ALDH1A1TDP1TSHRLMNA | |
| Acetone SCHEMBL9066475 | 0.88 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRLMNATP53 | |
| Acetone SCHEMBL2506708 | 0.88 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRLMNATP53 | |
| Isopropyl Alcohol SCHEMBL2390379 | 0.85 | TSHR (0.46) | ALDH1A1TDP1TSHRLMNA | |
| Acetone SCHEMBL11331997 | 0.85 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRLMNATHPO | |
| Butyl Alcohol SCHEMBL18281407 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TSHRLMNA | |
| Butyl Alcohol SCHEMBL28133143 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TSHRLMNA | |
| Acetone SCHEMBL19056239 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRLMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2007850-A2 | METHOD FOR PRODUCING BIO-FUEL THAT INTEGRATES HEAT FROM CARBON-CARBON BOND-FORMING REACTIONS TO DRIVE BIOMASS GASIFICATION REACTIONS | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007112314-A2 | METHOD FOR PRODUCING BIO-FUEL THAT INTEGRATES HEAT FROM CARBON-CARBON BOND-FORMING REACTIONS TO DRIVE BIOMASS GASIFICATION REACTIONS | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2007-10-04 | — | — | WO | disclosed |