Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 18/20 | 0.65 |
| ▸ | LYN | P07948 | 3/20 | 0.65 |
| ▸ | LCK | P06239 | 2/20 | 0.65 |
| ▸ | NUDT14 | O95848 | 2/20 | 0.56 |
| ▸ | NUDT5 | Q9UKK9 | 2/20 | 0.56 |
| ▸ | EGFR | P00533 | 5/20 | 0.55 |
| ▸ | ABL1 | P00519 | 2/20 | 0.54 |
| ▸ | HCK | P08631 | 2/20 | 0.54 |
| ▸ | SRC | P12931 | 2/20 | 0.54 |
| ▸ | KDR | P35968 | 2/20 | 0.54 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.54 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.54 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.54 |
| ▸ | PRKDC | P78527 | 1/20 | 0.54 |
| ▸ | TEC | P42680 | 3/20 | 0.54 |
| ▸ | BMX | P51813 | 3/20 | 0.54 |
| ▸ | TXK | P42681 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29441905 | 0.95 | BTK (0.62) | BTKLYNLCKNUDT14NUDT5 | |
| SCHEMBL22230740 | 0.95 | BTK (0.62) | BTKLYNLCKNUDT14NUDT5 | |
| SCHEMBL22230762 | 0.90 | BTK (0.80) | BTKLYNLCKNUDT14NUDT5 | |
| SCHEMBL22230742 | 0.90 | BTK (0.80) | BTKLYNLCKNUDT14NUDT5 | |
| SCHEMBL24041267 | 0.90 | BTK (0.80) | BTKLYNLCKNUDT14NUDT5 | |
| SCHEMBL24041322 | 0.89 | BTK (0.78) | BTKLYNLCKNUDT14NUDT5 | |
| SCHEMBL22230763 | 0.89 | BTK (0.63) | BTKLYNLCKNUDT14NUDT5 | |
| SCHEMBL22230593 | 0.86 | BTK (0.60) | BTKLYNLCKNUDT14NUDT5 | |
| SCHEMBL22230592 | 0.86 | BTK (0.60) | BTKLYNLCKNUDT14NUDT5 | |
| SCHEMBL22902504 | 0.86 | BTK (0.63) | BTKLYNLCKNUDT14NUDT5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3912980-A1 | CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR | Minghui Pharmaceutical (Shanghai) Limited (CN) | 2021-11-24 | — | — | EP | disclosed |
| WO-2020147798-A1 | CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR | 明慧医药（上海）有限公司 | 2020-07-23 | — | — | WO | disclosed |