Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 2/20 | 0.35 |
| ▸ | IDH2 | P48735 | 2/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28956111 | 1.00 | IDH1 (0.35) | IDH1IDH2MALT1AAK1 | |
| SCHEMBL28956217 | 0.77 | MALT1 (0.36) | IDH1IDH2MALT1AAK1 | |
| SCHEMBL30282314 | 0.77 | MALT1 (0.36) | IDH1IDH2MALT1AAK1 | |
| SCHEMBL28955971 | 0.77 | MALT1 (0.36) | IDH1IDH2MALT1AAK1 | |
| SCHEMBL28955970 | 0.77 | MALT1 (0.36) | IDH1IDH2MALT1AAK1 | |
| SCHEMBL14677129 | 0.74 | CYP19A1 (0.39) | — | |
| Tert-Butanol SCHEMBL28823763 | 0.74 | MALT1 (0.41) | IDH1IDH2MALT1 | |
| SCHEMBL1118377 | 0.74 | MALT1 (0.41) | IDH1IDH2MALT1AAK1 | |
| SCHEMBL25218748 | 0.73 | CA2 (0.38) | — | |
| SCHEMBL30307739 | 0.73 | CA2 (0.38) | — |
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-115551841-A | Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor | 爱杜西亚药品有限公司 | 2022-12-30 | — | — | CN | disclosed |