Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | HPGDS | O60760 | 2/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.39 |
| ▸ | JAK1 | P23458 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24464321 | 0.86 | HPGDS (0.44) | EGFRHPGDSLMNAHTTPKM | |
| SCHEMBL19917142 | 0.83 | EGFR (0.44) | EGFRHPGDSLMNAHTTPKM | |
| SCHEMBL26411460 | 0.82 | PIK3CD (0.42) | PIK3CDPKMCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18599047 | 0.81 | RPS6KB1 (0.46) | PIK3CDHSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21900776 | 0.81 | BTK (0.47) | EGFRBTKJAK1 | |
| SCHEMBL22243292 | 0.80 | BTK (0.45) | EGFRHPGDSLMNAHTTADORA1 | |
| SCHEMBL22243325 | 0.80 | MAPK8 (0.39) | EGFRPIK3CDBTK | |
| SCHEMBL21899554 | 0.77 | BTK (0.67) | EGFRBTKJAK1 | |
| SCHEMBL23287652 | 0.77 | PIK3CD (0.47) | PIK3CDLMNAHTTPKMHSD17B10 | |
| SCHEMBL21159561 | 0.77 | HPGDS (0.53) | EGFRHPGDSLMNAHTTPKM |
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 |