Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | G6PD | P11413 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11024555 | 0.98 | CTSK (0.59) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11038225 | 0.84 | CTSK (0.75) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3626870 | 0.81 | CTSK (0.59) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2548723 | 0.81 | CTSK (0.59) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11250504 | 0.79 | CTSK (0.68) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5974473 | 0.79 | ALDH1A1 (0.64) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11025442 | 0.78 | NPC1 (0.55) | ALDH1A1CYP3A4KMT2AMEN1CA12 | |
| SCHEMBL11128883 | 0.78 | GAA (0.57) | ALDH1A1CYP3A4CYP2C9KMT2AGAA | |
| SCHEMBL11400294 | 0.78 | CTSK (0.66) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| Chloromethane SCHEMBL27592976 | 0.78 | CTSK (0.56) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 |
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-103012455-A | Preparation method of alpha-alkenyl boronic acid pinacol esters | LIANHUA CHEMISTRY CO LTD DALIAN | 2013-04-03 | — | — | CN | disclosed |
| EP-0163996-A1 | 2,2-Dimethyl-3-formylcyclopropanes and process for their preparation | BAYER AG (DE) | 1985-12-11 | — | — | EP | disclosed |