Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 4/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | FPR1 | P21462 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23746999 | 0.99 | EGFR (0.42) | EGFRKDRCHRNA7HTR3ABRPF1 | |
| SCHEMBL23747016 | 0.85 | CHRNA7 (0.41) | CHRNA7HTR3ABRPF1BRAFBRD4 | |
| SCHEMBL23747109 | 0.84 | CHRNA7 (0.41) | CHRNA7HTR3ABRPF1BRAFBRD4 | |
| SCHEMBL23746995 | 0.78 | FKBP1A (0.43) | EGFRKDRCHRNA7HTR3AALDH1A1 | |
| SCHEMBL23746994 | 0.75 | EGFR (0.45) | EGFRKDRALDH1A1TSHR | |
| SCHEMBL19864853 | 0.74 | EGFR (0.55) | EGFRKDRCHRNA7HTR3AALDH1A1 | |
| SCHEMBL23746986 | 0.74 | EGFR (0.44) | EGFRKDRCHRNA7HTR3ABRAF | |
| SCHEMBL23747097 | 0.71 | KDM4E (0.47) | EGFRKDRALDH1A1 | |
| SCHEMBL23747000 | 0.70 | EGFR (0.47) | EGFRKDRPIK3CAALDH1A1TSHR | |
| SCHEMBL23746992 | 0.70 | EGFR (0.42) | EGFRKDRCHRNA7HTR3ABRAF |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021158516-A1 | IRE1α MODULATORS AND USES THEREOF | NIMBUS IASO, INC. (US) | 2021-08-12 | — | — | WO | disclosed |