Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 2/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 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 | |
|---|---|---|---|---|
| SCHEMBL27807000 | 0.88 | ALDH1A1 (0.44) | GPR119L3MBTL1SCN1ASCN2ASCN3A | |
| SCHEMBL28900104 | 0.85 | ALDH1A1 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28576696 | 0.83 | GPR119 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28569815 | 0.81 | ALDH1A1 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28974951 | 0.75 | GPR119 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2409983 | 0.74 | GPR119 (0.51) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2409985 | 0.74 | GPR119 (0.51) | CA12CA1CA2CA9CA14 | |
| SCHEMBL5207933 | 0.73 | GPR119 (0.56) | CA12CA1CA2CA9CA14 | |
| SCHEMBL27898038 | 0.71 | GPR119 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL22692234 | 0.70 | GPR119 (0.42) | CA12CA1CA2CA9CA14 |
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-112939897-A | Preparation method and application of broad-spectrum anti-cancer drug enrotinib intermediate | 上海珈睿医药科技有限公司 | 2021-06-11 | — | — | CN | disclosed |