Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | TEK | Q02763 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.32 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 6/20 | 0.32 |
| ▸ | JAK1 | P23458 | 6/20 | 0.32 |
| ▸ | TYK2 | P29597 | 6/20 | 0.32 |
| ▸ | KDR | P35968 | 6/20 | 0.32 |
| ▸ | JAK3 | P52333 | 6/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.32 |
| ▸ | VRK1 | Q99986 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.31 |
| ▸ | FEN1 | P39748 | 2/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | RICTOR | Q6R327 | 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 | |
|---|---|---|---|---|
| SCHEMBL25520074 | 0.96 | RPS6KA3 (0.36) | RPS6KA3DHFRTEKP2RX3P2RX2 | |
| SCHEMBL25522055 | 0.85 | VRK1 (0.35) | RPS6KA3DHFRTEKP2RX3P2RX2 | |
| SCHEMBL27033266 | 0.84 | JAK2 (0.33) | P2RX3P2RX2JAK2JAK1TYK2 | |
| SCHEMBL30726167 | 0.84 | JAK2 (0.33) | P2RX3P2RX2JAK2JAK1TYK2 | |
| SCHEMBL27033288 | 0.84 | JAK2 (0.33) | P2RX3P2RX2JAK2JAK1TYK2 | |
| SCHEMBL31538918 | 0.84 | JAK2 (0.33) | P2RX3P2RX2JAK2JAK1TYK2 | |
| SCHEMBL25522346 | 0.81 | CYBB (0.34) | ALOX5APFEN1TLR9TLR8TLR7 | |
| SCHEMBL25522348 | 0.81 | FEN1 (0.36) | VRK1ALOX5APFEN1TLR9TLR8 | |
| SCHEMBL25522435 | 0.78 | RPS6KA3 (0.34) | RPS6KA3DHFRTEKJAK2JAK1 | |
| SCHEMBL25522440 | 0.76 | FEN1 (0.37) | VRK1ALOX5APFEN1TLR9TLR8 |
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-2023086428-A2 | NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF | ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-05-19 | — | — | WO | disclosed |