Known targets — ChEMBL curated mechanism
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
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 2/20 | 0.41 |
| ▸ | LAP3 | P28838 | 3/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL27921958 | 1.00 | METAP1 (0.50) | METAP1ALDH1A1TDP1FDPSLAP3 | |
| Phosphoric Acid SCHEMBL182836 | 0.89 | METAP1 (0.54) | METAP1ALDH1A1TDP1FDPSLAP3 | |
| Phosphoric Acid SCHEMBL27964000 | 0.89 | METAP1 (0.54) | METAP1ALDH1A1TDP1FDPSLAP3 | |
| Acetic Acid SCHEMBL11803297 | 0.80 | CHRM1 (0.46) | METAP1ALDH1A1TDP1GRIK1SLC1A3 | |
| SCHEMBL28224067 | 0.78 | SLC1A3 (0.39) | METAP1ALDH1A1TDP1FDPSGRIK1 | |
| SCHEMBL28944007 | 0.76 | — | — | |
| Butanone SCHEMBL8138236 | 0.76 | ALDH1A1 (0.71) | METAP1ALDH1A1TDP1FDPSLAP3 | |
| SCHEMBL14964219 | 0.76 | — | — | |
| SCHEMBL133123 | 0.76 | — | — | |
| Phosphoric Acid SCHEMBL5053808 | 0.74 | LAP3 (0.63) | FDPSLAP3S1PR2S1PR1S1PR3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105950525-A | INTEGRATION OF A POLYNUCLEOTIDE ENCODING A POLYPEPTIDE THAT CATALYZES PYRUVATE TO ACETOLACTATE CONVERSION | 布特马斯先进生物燃料有限责任公司 | 2016-09-21 | — | — | CN | disclosed |
| CN-104245073-A | Process to remove product alcohols from fermentation broth | BUTAMAX TM ADVANCED BIOFUELS | 2014-12-24 | — | — | CN | disclosed |