Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTBK1 | Q5TCY1 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | BTK | Q06187 | 9/20 | 0.45 |
| ▸ | EGFR | P00533 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.44 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24363479 | 0.83 | BTK (0.53) | BTKEGFRKCNH2 | |
| SCHEMBL24363245 | 0.77 | BTK (0.52) | TTBK1BTKEGFRKCNH2TNK2 | |
| SCHEMBL15783563 | 0.76 | BTK (0.71) | BTKEGFRKCNH2 | |
| SCHEMBL14241800 | 0.76 | BTK (0.71) | BTKEGFRKCNH2 | |
| SCHEMBL15770436 | 0.76 | BTK (0.71) | BTKEGFRKCNH2 | |
| SCHEMBL24363242 | 0.74 | LCK (0.49) | TTBK1BTKEGFRKCNH2TNK2 | |
| SCHEMBL22874613 | 0.72 | NR3C1 (0.53) | TTBK1MAPTTTBK2CDK8BRAF | |
| SCHEMBL623788 | 0.72 | TNK2 (0.51) | TTBK1MAPTBTKTNK2TTBK2 | |
| SCHEMBL27579381 | 0.71 | LTA4H (0.59) | TTBK1MAPTTTBK2MAPK14LTA4H | |
| SCHEMBL476378 | 0.70 | ALDH1A1 (0.66) | TTBK1MAPTTTBK2LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| EP-2718270-B1 | COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY | MERCK PATENT GMBH (DE) | 2022-04-27 | — | — | EP | disclosed |