Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 10/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL19632860 | 0.93 | ERBB2 (0.42) | ERBB2GRM4 | |
| SCHEMBL19633089 | 0.92 | ERBB2 (0.43) | ERBB2GRM4 | |
| SCHEMBL19739221 | 0.89 | ERBB2 (0.37) | ERBB2CYP17A1GRM4GSK3BDYRK1A | |
| SCHEMBL19739261 | 0.86 | ERBB2 (0.45) | ERBB2GRM4GSK3BDYRK1A | |
| SCHEMBL19739283 | 0.85 | ERBB2 (0.45) | ERBB2CYP17A1CD274 | |
| SCHEMBL19739171 | 0.84 | CYP17A1 (0.37) | CYP17A1CD274ARGSK3BDYRK1A | |
| SCHEMBL19636843 | 0.84 | GRM4 (0.35) | ERBB2GRM4 | |
| SCHEMBL19614901 | 0.84 | ERBB2 (0.42) | ERBB2GRM4 | |
| SCHEMBL19614936 | 0.81 | ERBB2 (0.42) | ERBB2GRM4GSK3BDYRK1A | |
| SCHEMBL19633039 | 0.79 | ERBB2 (0.40) | ERBB2GRM4 |
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-3475284-B1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | MERSANA THERAPEUTICS INC (US) | 2022-11-02 | — | — | EP | disclosed |