Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.82 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KISS1R | Q969F8 | 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 SCHEMBL1128055 | 0.91 | ALDH1A1 (1.00) | ALDH1A1TDP1CA2CYP2C19SMN1; SMN2 | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.91 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL15458 | 0.91 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL2939888 | 0.89 | ALDH1A1 (0.74) | ALDH1A1TDP1CA2CYP2C19SMN1; SMN2 | |
| Methyl Isobutyl Ketone SCHEMBL809423 | 0.88 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL842835 | 0.88 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL7073455 | 0.88 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL2188913 | 0.88 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL8421472 | 0.88 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL358566 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103450244-A | Preparation method of alkyl methyl isoacetoxime silicane | ZHEJIANG QUZHOU GUIBAO CHEMICAL CO LTD | 2013-12-18 | — | — | CN | disclosed |