Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | F2 | P00734 | 3/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL938973 | 0.82 | ALDH1A1 (0.46) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL28867389 | 0.82 | ALDH1A1 (0.46) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL4119814 | 0.82 | ALDH1A1 (0.46) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL3836056 | 0.82 | ALDH1A1 (0.58) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6283149 | 0.81 | ALDH1A1 (0.49) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL493845 | 0.79 | ALDH1A1 (0.47) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL10588578 | 0.79 | ALDH1A1 (0.43) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL10637725 | 0.79 | ALDH1A1 (0.60) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL20968996 | 0.79 | ALDH1A1 (0.47) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL5159692 | 0.79 | ALDH1A1 (0.47) | ALDH1A1F2PRSS1PRSS2PRSS3 |
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-103396399-B | Nitrogenated aromatic 6-membered ring derivative, and pharmaceutical agent comprising same | DAIICHI SANKYO CO LTD | 2015-04-29 | — | — | CN | disclosed |