Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | F11 | P03951 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | F2 | P00734 | 3/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 8/20 | 0.40 |
| ▸ | LPL | P06858 | 7/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28817123 | 1.00 | ESR2 (0.45) | ESR2F11CA1CA2CA9 | |
| SCHEMBL28817201 | 0.85 | CYP1A2 (0.40) | ESR2F11CA1CA2CA9 | |
| SCHEMBL28817105 | 0.81 | AAK1 (0.47) | ESR2F11CA1CA2CA9 | |
| SCHEMBL28817172 | 0.81 | CYP1A2 (0.34) | ESR2F11CA1CA2CA9 | |
| SCHEMBL28623122 | 0.79 | CA1 (0.46) | ESR2F11CA1CA2CA9 | |
| SCHEMBL28623123 | 0.79 | CA1 (0.46) | ESR2F11CA1CA2CA9 | |
| SCHEMBL21472005 | 0.79 | P4HB (0.39) | ESR2F11CA1CA2CA9 | |
| SCHEMBL17129624 | 0.78 | DGAT1 (0.44) | ESR2F11CA1CA2CA9 | |
| SCHEMBL15778480 | 0.77 | LIPG (0.42) | ESR2F11CA1CA2CA9 | |
| SCHEMBL5336869 | 0.77 | F11 (0.56) | ESR2F11CA1CA2CA9 |
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-108341774-B | Substituted quinolinone inhibitors | 首药控股(北京)股份有限公司 | 2022-07-19 | — | — | CN | disclosed |