Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ibrutinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK known ✓ | Q06187 | 14/20 | 1.00 |
| ▸ | EGFR | P00533 | 9/20 | 1.00 |
| ▸ | BMX | P51813 | 5/20 | 1.00 |
| ▸ | ITK | Q08881 | 4/20 | 1.00 |
| ▸ | TEC | P42680 | 3/20 | 1.00 |
| ▸ | HCK | P08631 | 3/20 | 1.00 |
| ▸ | SRC | P12931 | 3/20 | 1.00 |
| ▸ | BLK | P51451 | 3/20 | 1.00 |
| ▸ | TXK | P42681 | 2/20 | 1.00 |
| ▸ | LYN | P07948 | 2/20 | 1.00 |
| ▸ | FGFR2 | P21802 | 2/20 | 1.00 |
| ▸ | NUDT5 | Q9UKK9 | 2/20 | 1.00 |
| ▸ | JAK3 | P52333 | 2/20 | 1.00 |
| ▸ | RIPK2 | O43353 | 1/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | SLC22A3 | O75751 | 1/20 | 1.00 |
| ▸ | LATS1 | O95835 | 1/20 | 1.00 |
| ▸ | NUDT14 | O95848 | 1/20 | 1.00 |
| ▸ | ABL1 | P00519 | 1/20 | 1.00 |
| ▸ | ERBB2 | P04626 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Ibrutinib SCHEMBL201641 | 1.00 | BTK (1.00) | BTKEGFRBMXITKTEC | |
| Ibrutinib SCHEMBL201642 | 1.00 | BTK (1.00) | BTKEGFRBMXITKTEC | |
| Ibrutinib SCHEMBL2244870 | 1.00 | BTK (1.00) | BTKEGFRBMXITKTEC | |
| Ibrutinib SCHEMBL201859 | 1.00 | BTK (1.00) | BTKEGFRBMXITKTEC | |
| SCHEMBL21428758 | 0.98 | BTK (0.95) | BTKEGFRBMXITKTEC | |
| SCHEMBL200391 | 0.95 | BTK (1.00) | BTKEGFRBMXITKTEC | |
| SCHEMBL200392 | 0.95 | BTK (1.00) | BTKEGFRBMXITKTEC | |
| SCHEMBL201548 | 0.95 | BTK (1.00) | BTKEGFRBMXITKTEC | |
| Ibrutinib SCHEMBL16887867 | 0.95 | BTK (0.93) | BTKEGFRBMXITKTEC | |
| SCHEMBL1613606 | 0.93 | EGFR (0.90) | BTKEGFRBMXITKTEC |
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 |
|---|---|---|---|---|---|---|---|
| US-8008309-B2 | Inhibitors of bruton's tyrosine kinase | PHARMACYCLICS, INC. (US) | 2011-08-30 | — | — | US | claimed |