Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 3/20 | 0.43 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.43 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | BCL6 | P41182 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20674016 | 0.93 | DAO (0.46) | DAOFEN1ERCC1ERCC4GABRA5 | |
| SCHEMBL12251818 | 0.84 | PDE3B (0.44) | DAOGABRA5PDE3BPDE3ACYP1A2 | |
| SCHEMBL31425940 | 0.84 | PDE3B (0.44) | DAOGABRA5PDE3BPDE3ACYP1A2 | |
| SCHEMBL12060489 | 0.75 | KDM5A (0.46) | GABRA5CYP1A2TGFBR1ALDH1A1BCL6 | |
| SCHEMBL13322656 | 0.75 | HPD (0.42) | DAOGABRA5PDE3BPDE3ACYP1A2 | |
| SCHEMBL12049021 | 0.75 | HPD (0.42) | DAOGABRA5PDE3BPDE3ACYP1A2 | |
| SCHEMBL1520214 | 0.74 | ERCC1 (0.66) | FEN1ERCC1ERCC4CYP1A2ALDH1A1 | |
| SCHEMBL23470178 | 0.73 | PGR (0.51) | GABRA5CYP1A2ATMADORA3ALDH1A1 | |
| SCHEMBL13322657 | 0.71 | MAPK14 (0.40) | DAOPDE3BPDE3ACYP1A2CYP3A4 | |
| SCHEMBL9534299 | 0.70 | ADORA3 (0.49) | FEN1ERCC1ERCC4PDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |