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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
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 SCHEMBL28124784 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LMNATSHRTHPOTDP1 | |
| Acetone SCHEMBL391390 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LMNATSHRTHPOTDP1 | |
| Acetone SCHEMBL5828252 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LMNATSHRTHPOTDP1 | |
| Acetone SCHEMBL5668865 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LMNATSHRTHPOTDP1 | |
| Acetone SCHEMBL153745 | 1.00 | — | — | |
| Acetone SCHEMBL4909337 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LMNATSHRTHPOTDP1 | |
| Acetone SCHEMBL8041533 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LMNATSHRTHPOTDP1 | |
| Acetone SCHEMBL8107245 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LMNATSHRTHPOTDP1 | |
| Acetone SCHEMBL8041534 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LMNATSHRTHPOTDP1 | |
| Acetone SCHEMBL11454886 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LMNATSHRTHPOTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2075018-B1 | Method for grafting a porous element for leukodepletion | MACO PHARMA SA (FR) | 2013-02-13 | — | — | EP | disclosed |
| EP-2075018-A1 | Method for grafting a porous element for leukodepletion | MACO PHARMA (FR) | 2009-07-01 | — | — | EP | disclosed |
| EP-0566445-A1 | Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy | INNOTHERA (FR) | 1993-10-20 | — | — | EP | disclosed |