Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | F2 | P00734 | 3/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA6 | P23280 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9137938 | 0.83 | GAA (0.45) | ALDH1A1CA1CA2CA12CA6 | |
| SCHEMBL3836056 | 0.82 | ALDH1A1 (0.58) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL29179756 | 0.81 | NPC1 (0.49) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL11798968 | 0.81 | KMT2A (0.42) | ALDH1A1CA1CA2CA12CA6 | |
| SCHEMBL28594201 | 0.80 | KMT2A (0.47) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7186972 | 0.80 | GAA (0.59) | ALDH1A1CA1CA2CA12CA6 | |
| SCHEMBL15669335 | 0.79 | KMT2A (0.43) | ALDH1A1CA1CA2GAAMMP1 | |
| SCHEMBL20414059 | 0.77 | GAA (0.39) | ALDH1A1CA1CA2CA12CA6 | |
| Urea SCHEMBL28325104 | 0.77 | ALDH1A1 (0.52) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL10637725 | 0.76 | ALDH1A1 (0.60) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114478303-A | Method for synthesizing carbidopa | 浙江野风药业股份有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-110857293-B | Novel quinoline derivative inhibitor | 药捷安康(南京)科技股份有限公司 | 2023-01-10 | — | — | CN | disclosed |
| CN-114478303-A | Method for synthesizing carbidopa | 浙江野风药业股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-114478303-A | Method for synthesizing carbidopa | 浙江野风药业股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-110857293-A | Novel quinoline derivative inhibitor | 南京药捷安康生物科技有限公司 | 2020-03-03 | — | — | CN | disclosed |
| WO-2020038460-A1 | NOVEL QUINOLINE DERIVATIVE INHIBITOR | 南京药捷安康生物科技有限公司 | 2020-02-27 | — | — | WO | disclosed |