Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 10/20 | 0.51 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.48 |
| ▸ | CCND1 | P24385 | 1/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | IDH1 | O75874 | 2/20 | 0.41 |
| ▸ | IDH2 | P48735 | 2/20 | 0.41 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23768213 | 0.83 | MALT1 (0.46) | MALT1CCNE2CDK4CCND1CCNE1 | |
| SCHEMBL20428021 | 0.82 | MALT1 (0.57) | MALT1CCNE2CDK4CCND1CCNE1 | |
| SCHEMBL8177865 | 0.79 | MALT1 (0.54) | MALT1IDH1IDH2TAS2R14 | |
| SCHEMBL17117515 | 0.77 | MALT1 (0.59) | MALT1IDH1IDH2TAS2R14 | |
| Hydrochloric Acid SCHEMBL29162073 | 0.75 | MALT1 (0.57) | MALT1IDH1IDH2TAS2R14 | |
| SCHEMBL21017097 | 0.73 | PLK1 (0.38) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL28158326 | 0.73 | MEN1 (0.44) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL23768151 | 0.73 | PLK1 (0.38) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL28137210 | 0.73 | MALT1 (0.51) | MALT1IDH1IDH2TAS2R14 | |
| SCHEMBL15881106 | 0.73 | MALT1 (0.59) | MALT1IDH1IDH2TAS2R14 |
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-104822653-B | N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists | 奥赖恩公司 | 2017-03-08 | — | — | CN | disclosed |