Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | KDM5A | P29375 | 1/20 | 0.30 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23937917 | 0.98 | HSD17B10 (0.35) | HSD17B10KDM4EALDH1A1CASP1CASP7 | |
| SCHEMBL20631142 | 0.96 | KDM4E (0.33) | HSD17B10KDM4EALDH1A1CASP1CASP7 | |
| SCHEMBL23937926 | 0.81 | — | — | |
| SCHEMBL23937833 | 0.79 | MAPK1 (0.33) | KDM4ECASP1CASP7 | |
| SCHEMBL23937907 | 0.72 | ALOX5 (0.33) | HSD17B10KDM4EALDH1A1 | |
| SCHEMBL16132568 | 0.72 | IMPDH2 (0.39) | HSD17B10KDM4EALDH1A1CASP1CASP7 | |
| SCHEMBL23937908 | 0.71 | ALOX5 (0.35) | KDM4E | |
| SCHEMBL23937643 | 0.68 | KDM4E (0.34) | KDM4EALDH1A1CYP2C9 | |
| SCHEMBL23937911 | 0.67 | POLB (0.30) | — | |
| SCHEMBL20631141 | 0.67 | FABP4 (0.39) | HSD17B10KDM4ECASP1CASP7 |
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 |