Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.32 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.78 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.78 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
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 SCHEMBL104272 | 0.97 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2TSHRCYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL26910412 | 0.94 | ALDH1A1 (0.78) | ALDH1A1TDP1CA2TSHRCYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL1160639 | 0.91 | ALDH1A1 (0.93) | ALDH1A1TDP1CA2CYP2C19LMNA | |
| Methyl Isobutyl Ketone SCHEMBL2240499 | 0.89 | ALDH1A1 (0.78) | ALDH1A1TDP1CA2CYP2C19LMNA | |
| Methyl Isobutyl Ketone SCHEMBL10680946 | 0.88 | ALDH1A1 (0.88) | ALDH1A1TDP1CA2CYP2C19LMNA | |
| Methyl Isobutyl Ketone SCHEMBL28836144 | 0.88 | ALDH1A1 (0.88) | ALDH1A1TDP1CA2TSHRCYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.88 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL15458 | 0.88 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1128055 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TDP1CA2CYP2C19SMN1; SMN2 | |
| Methyl Isobutyl Ketone SCHEMBL108045 | 0.86 | ALDH1A1 (0.74) | ALDH1A1TDP1CA2TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107983327-A | A kind of method for improving ZnO nano-rod array photocatalysis performance | 西安理工大学 | 2018-05-04 | — | — | CN | claimed |
| CN-107983327-B | Method for improving photocatalytic performance of ZnO nanorod array | 西安理工大学 | 2020-08-18 | — | — | CN | disclosed |
| CN-107983327-A | A kind of method for improving ZnO nano-rod array photocatalysis performance | 西安理工大学 | 2018-05-04 | — | — | CN | disclosed |