Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 20/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.75 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.63 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6826522 | 0.86 | ABCC1 (1.00) | ABCC1CYP3A4ABCB1ABCG2 | |
| SCHEMBL6923648 | 0.86 | ABCC1 (0.68) | ABCC1CYP3A4 | |
| SCHEMBL6828565 | 0.84 | ABCC1 (1.00) | ABCC1CYP3A4ABCB1ABCG2 | |
| SCHEMBL6826397 | 0.84 | ABCC1 (1.00) | ABCC1CYP3A4ABCB1ABCG2 | |
| SCHEMBL6826593 | 0.83 | ABCC1 (0.77) | ABCC1CYP3A4ABCB1ABCG2 | |
| SCHEMBL6920584 | 0.83 | ABCC1 (0.77) | ABCC1CYP3A4ABCB1ABCG2 | |
| SCHEMBL6826321 | 0.82 | ABCC1 (1.00) | ABCC1CYP3A4ABCB1ABCG2 | |
| SCHEMBL6826366 | 0.81 | ABCC1 (1.00) | ABCC1CYP3A4ABCB1ABCG2 | |
| SCHEMBL6920843 | 0.81 | ABCC1 (1.00) | ABCC1CYP3A4 | |
| SCHEMBL6826243 | 0.81 | ABCC1 (1.00) | ABCC1CYP3A4ABCB1 |
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 |