Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | JAK2 | O60674 | 4/20 | 0.51 |
| ▸ | TTBK1 | Q5TCY1 | 2/20 | 0.49 |
| ▸ | TTBK2 | Q6IQ55 | 2/20 | 0.49 |
| ▸ | IKBKB | O14920 | 2/20 | 0.48 |
| ▸ | CHUK | O15111 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | JAK1 | P23458 | 3/20 | 0.46 |
| ▸ | TYK2 | P29597 | 2/20 | 0.46 |
| ▸ | JAK3 | P52333 | 2/20 | 0.46 |
| ▸ | MET | P08581 | 1/20 | 0.46 |
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.44 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21218364 | 0.76 | EGFR (0.76) | EGFRAURKBJAK2TTBK1TTBK2 | |
| SCHEMBL5137242 | 0.75 | MET (0.64) | EGFRAURKBJAK2IKBKBCHUK | |
| SCHEMBL16897037 | 0.72 | MET (0.49) | EGFRAURKBJAK2IKBKBCHUK | |
| SCHEMBL17113647 | 0.72 | MET (0.49) | EGFRAURKBJAK1MET | |
| SCHEMBL15542706 | 0.72 | FFAR2 (0.44) | EGFRAURKBJAK2TTBK1TTBK2 | |
| SCHEMBL16897006 | 0.69 | MET (0.46) | EGFRAURKBJAK2IKBKBCHUK | |
| SCHEMBL5998976 | 0.69 | HIF1A (0.48) | EGFRTNNI3KBRAFCDC7DBF4 | |
| SCHEMBL19641706 | 0.69 | FFAR2 (0.41) | EGFRAURKBIKBKBCHUKMET | |
| SCHEMBL12613146 | 0.68 | IKBKB (0.36) | EGFRAURKBJAK2IKBKBCHUK | |
| SCHEMBL4006751 | 0.68 | JAK2 (1.00) | AURKBJAK2TTBK1TTBK2IKBKB |
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-105189512-A | Pyrrolopyrimindine CDK9 kinase inhibitors | ABBVIE INC | 2015-12-23 | — | — | CN | disclosed |