Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 4/20 | 0.42 |
| ▸ | RAF1 | P04049 | 4/20 | 0.42 |
| ▸ | BRAF | P15056 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5668761 | 0.84 | PPARG (0.52) | ARCHEK2IDO1KDRRAF1 | |
| SCHEMBL876272 | 0.83 | AR (0.49) | ARCHEK2IDO1KDRRAF1 | |
| SCHEMBL6511184 | 0.83 | MAOA (0.50) | ARCHEK2IDO1RAF1BRAF | |
| SCHEMBL875870 | 0.81 | AR (0.48) | ARCHEK2IDO1KDRRAF1 | |
| SCHEMBL2396132 | 0.81 | AR (0.51) | ARCHEK2IDO1KDRRAF1 | |
| SCHEMBL9106976 | 0.81 | IDO1 (0.49) | ARCHEK2IDO1KDRRAF1 | |
| SCHEMBL24998721 | 0.80 | PPARG (0.51) | ARCHEK2IDO1KDRRAF1 | |
| SCHEMBL875873 | 0.80 | AR (0.47) | ARCHEK2IDO1KDRRAF1 | |
| SCHEMBL13945703 | 0.80 | AR (0.47) | ARCHEK2IDO1KDRRAF1 | |
| SCHEMBL875588 | 0.80 | IDO1 (0.51) | ARCHEK2IDO1KDRRAF1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016180247-A1 | BICYCLIC COMPOUND USED AS AN LP-PLA2 INHIBITOR, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 中国科学院上海药物研究所 | 2016-11-17 | — | — | WO | disclosed |