Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.36 |
| ▸ | FEN1 | P39748 | 2/20 | 0.36 |
| ▸ | KIT | P10721 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.34 |
| ▸ | BTK | Q06187 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PAK4 | O96013 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17177311 | 0.85 | BTK (0.41) | PTGS2KITPTGS1PIK3CBTYRO3 | |
| SCHEMBL18306350 | 0.85 | TGFBR1 (0.39) | ABL1KITTYRO3BTKCLK4 | |
| SCHEMBL18306360 | 0.83 | IRAK4 (0.35) | PTGS2PTGS1TYRO3BTKCLK4 | |
| SCHEMBL18306344 | 0.82 | MAP4K4 (0.37) | ABL1PTGS2ALOX5APFEN1KIT | |
| SCHEMBL18306367 | 0.82 | AURKA (0.37) | ABL1PTGS2ALOX5APFEN1PTGS1 | |
| SCHEMBL18306348 | 0.82 | RPS6KA3 (0.37) | PTGS2ALOX5APFEN1PTGS1TYRO3 | |
| SCHEMBL18306345 | 0.81 | PTGS2 (0.39) | PTGS2ALOX5APFEN1PTGS1TYRO3 | |
| SCHEMBL18306335 | 0.80 | DHODH (0.38) | KITTYRO3BTKCLK4ACVR1 | |
| SCHEMBL18306440 | 0.79 | AURKA (0.34) | PTGS2ALOX5APFEN1KITPTGS1 | |
| SCHEMBL24715961 | 0.77 | KDM1A (0.36) | TYRO3BTKCLK4KDRAURKA |
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-2015157093-A1 | 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS AND METHODS OF USE | RIGEL PHARMACEUTICALS, INC. (US) | 2015-10-15 | — | — | WO | disclosed |