Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Methyl Isobutyl Ketone. 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 | 4/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.82 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.35 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.34 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Methyl Isobutyl Ketone SCHEMBL1160639 | 0.94 | ALDH1A1 (0.93) | ALDH1A1TDP1CA2MMP1MMP2 | |
| Methyl Isobutyl Ketone SCHEMBL809423 | 0.94 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL10680946 | 0.91 | ALDH1A1 (0.88) | ALDH1A1TDP1CA2MMP1MMP2 | |
| Methyl Isobutyl Ketone SCHEMBL8955721 | 0.91 | ALDH1A1 (0.88) | ALDH1A1TDP1CA2MMP1MMP2 | |
| Methyl Isobutyl Ketone SCHEMBL15458 | 0.91 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.91 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1128055 | 0.91 | ALDH1A1 (1.00) | ALDH1A1TDP1CA2MMP1MMP2 | |
| Methyl Isobutyl Ketone SCHEMBL9329046 | 0.88 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2MMP1MMP2 | |
| Methyl Isobutyl Ketone SCHEMBL29087110 | 0.88 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2MMP1MMP2 | |
| Methyl Isobutyl Ketone SCHEMBL7048520 | 0.88 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2MMP1MMP2 |
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-2003027378-A1 | DYE REMOVAL FROM DENIM SCRAP WITH A FORCED CIRCULATION KIER | ENVIRONMENT TEXTILES USA, INC. (US) | 2003-04-03 | — | — | WO | disclosed |