Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butanone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.71 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Butanone SCHEMBL10710094 | 0.96 | ALDH1A1 (0.77) | ALDH1A1TDP1TSHRLMNAFFAR3 | |
| Butanone SCHEMBL27864727 | 0.93 | ALDH1A1 (0.71) | ALDH1A1TDP1TSHRLMNAFFAR3 | |
| Butanone SCHEMBL457943 | 0.93 | — | — | |
| Butanone SCHEMBL10483459 | 0.93 | ALDH1A1 (0.83) | ALDH1A1TDP1TSHRLMNAFFAR3 | |
| Butanone SCHEMBL28798425 | 0.89 | — | — | |
| Butanone SCHEMBL5439217 | 0.89 | — | — | |
| Butanone SCHEMBL28969952 | 0.89 | — | — | |
| Butanone SCHEMBL1059831 | 0.89 | — | — | |
| Acetone SCHEMBL3956179 | 0.89 | — | — | |
| Acetone SCHEMBL10426278 | 0.89 | ALDH1A1 (0.55) | ALDH1A1TDP1TSHRLMNAFFAR3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007064029-A1 | OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE | FUJIFILM CORPORATION (JP) | 2007-06-07 | — | — | WO | disclosed |