Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL6828846 | 0.92 | ABCC1 (0.85) | ABCC1CYP3A4 | |
| SCHEMBL6920753 | 0.90 | ABCC1 (0.82) | ABCC1CYP3A4 | |
| SCHEMBL6922384 | 0.89 | ABCC1 (0.80) | ABCC1CYP3A4 | |
| SCHEMBL6921041 | 0.89 | ABCC1 (0.80) | ABCC1CYP3A4 | |
| SCHEMBL6921946 | 0.88 | ABCC1 (0.78) | ABCC1CYP3A4 | |
| SCHEMBL6826470 | 0.87 | ABCC1 (0.78) | ABCC1CYP3A4 | |
| SCHEMBL6920751 | 0.87 | ABCC1 (0.77) | ABCC1CYP3A4 | |
| SCHEMBL6918936 | 0.87 | ABCC1 (1.00) | ABCC1CYP3A4 | |
| SCHEMBL6924501 | 0.86 | ABCC1 (1.00) | ABCC1CYP3A4 | |
| SCHEMBL6923712 | 0.85 | ABCC1 (0.72) | ABCC1CYP3A4 |
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-2004111052-A1 | PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) | XENOVA LIMITED (GB) | 2004-12-23 | — | — | WO | disclosed |