Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 20/20 | 0.82 |
| ▸ | LCK | P06239 | 5/20 | 0.82 |
| ▸ | LYN | P07948 | 2/20 | 0.82 |
| ▸ | NUDT14 | O95848 | 1/20 | 0.76 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.76 |
| ▸ | SRC | P12931 | 2/20 | 0.74 |
| ▸ | KDR | P35968 | 1/20 | 0.74 |
| ▸ | TEK | Q02763 | 1/20 | 0.74 |
| ▸ | EGFR | P00533 | 4/20 | 0.70 |
| ▸ | ITK | Q08881 | 3/20 | 0.70 |
| ▸ | ABL1 | P00519 | 1/20 | 0.70 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.70 |
| ▸ | FYN | P06241 | 1/20 | 0.70 |
| ▸ | YES1 | P07947 | 1/20 | 0.70 |
| ▸ | HCK | P08631 | 1/20 | 0.70 |
| ▸ | FGR | P09769 | 1/20 | 0.70 |
| ▸ | FER | P16591 | 1/20 | 0.70 |
| ▸ | CSK | P41240 | 1/20 | 0.70 |
| ▸ | TEC | P42680 | 1/20 | 0.70 |
| ▸ | BLK | P51451 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL22243244 | 1.00 | BTK (0.82) | BTKLCKLYNNUDT14NUDT5 | |
| SCHEMBL29441896 | 1.00 | BTK (0.82) | BTKLCKLYNNUDT14NUDT5 | |
| SCHEMBL7001715 | 1.00 | BTK (0.82) | BTKLCKLYNNUDT14NUDT5 | |
| SCHEMBL22243280 | 0.94 | BTK (0.76) | BTKLCKLYNNUDT14NUDT5 | |
| SCHEMBL22230756 | 0.91 | BTK (0.68) | BTKLCKLYNNUDT14NUDT5 | |
| SCHEMBL22243261 | 0.91 | BTK (0.68) | BTKLCKLYNNUDT14NUDT5 | |
| SCHEMBL22230757 | 0.91 | BTK (0.68) | BTKLCKLYNNUDT14NUDT5 | |
| SCHEMBL2631407 | 0.91 | BTK (0.84) | BTKLCKLYNNUDT14NUDT5 | |
| SCHEMBL15915382 | 0.91 | BTK (0.84) | BTKLCKLYNNUDT14NUDT5 | |
| SCHEMBL5801460 | 0.91 | BTK (0.77) | BTKLCKLYNNUDT14NUDT5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113710671-A | Cyclic molecules as inhibitors of bruton's tyrosine kinase | 明慧医药（上海）有限公司 | 2021-11-26 | — | — | CN | disclosed |
| EP-3912980-A1 | CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR | Minghui Pharmaceutical (Shanghai) Limited (CN) | 2021-11-24 | — | — | EP | disclosed |
| CN-111454268-A | Cyclic molecules as inhibitors of bruton's tyrosine kinase | 明慧医药（上海）有限公司 | 2020-07-28 | — | — | CN | 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 |