Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | 3/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.74 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.32 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CACNA2D2 | Q9NY47 | 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 SCHEMBL306141 | 0.95 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2FFAR3CYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL2240499 | 0.92 | ALDH1A1 (0.78) | ALDH1A1TDP1CA2FFAR3MMP1 | |
| Methyl Isobutyl Ketone SCHEMBL8955721 | 0.92 | ALDH1A1 (0.88) | ALDH1A1TDP1CA2FFAR3LCK | |
| Methyl Isobutyl Ketone SCHEMBL15772913 | 0.90 | ALDH1A1 (0.74) | ALDH1A1TDP1CA2FFAR3MMP1 | |
| Methyl Isobutyl Ketone SCHEMBL9329046 | 0.89 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2FFAR3LCK | |
| Methyl Isobutyl Ketone SCHEMBL29087110 | 0.89 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2FFAR3LCK | |
| Methyl Isobutyl Ketone SCHEMBL809423 | 0.89 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL15458 | 0.86 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.86 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1128055 | 0.86 | ALDH1A1 (1.00) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106103080-B | Antifouling | 琳得科株式会社 | 2018-09-11 | — | — | CN | disclosed |
| CN-106132700-B | Antifouling and its manufacture method | 琳得科株式会社 | 2018-01-02 | — | — | CN | disclosed |
| CN-106132700-A | Antifouling and manufacture method | 琳得科株式会社 | 2016-11-16 | — | — | CN | disclosed |
| CN-106103080-A | Antifouling | 琳得科株式会社 | 2016-11-09 | — | — | CN | disclosed |