Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.47 |
| ▸ | CA2 | P00918 | 7/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21963793 | 1.00 | CA1 (0.47) | CA1CA2CYP2C19CA12CA9 | |
| SCHEMBL1542090 | 0.86 | L3MBTL1 (0.57) | CA1CA2CA12CA9L3MBTL1 | |
| SCHEMBL19707179 | 0.85 | NQO2 (0.54) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL3711894 | 0.85 | CA1 (0.50) | CA1CA2CA12CA9L3MBTL1 | |
| SCHEMBL1710609 | 0.80 | CA2 (0.48) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL27165592 | 0.80 | MEP1B (0.40) | CA1CA2CYP2C19AKR1C3F2 | |
| SCHEMBL30782049 | 0.80 | MEP1B (0.40) | CA1CA2CYP2C19AKR1C3F2 | |
| SCHEMBL27165701 | 0.80 | MEP1B (0.40) | CA1CA2CYP2C19AKR1C3F2 | |
| SCHEMBL21528029 | 0.80 | CA1 (0.46) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL23745906 | 0.79 | STAT3 (0.39) | CA1CA2CYP2C19CA12CA9 |
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-113365984-B | LOX inhibitors | 癌症研究协会皇家癌症医院 | 2024-10-15 | — | — | CN | disclosed |