Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 20/20 | 0.86 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.70 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL6919251 | 0.93 | ABCC1 (0.85) | ABCC1ABCG2ABCB1CYP3A4 | |
| SCHEMBL6920788 | 0.93 | ABCC1 (1.00) | ABCC1ABCG2ABCB1CYP3A4 | |
| SCHEMBL6922084 | 0.93 | ABCC1 (0.83) | ABCC1ABCG2ABCB1CYP3A4 | |
| SCHEMBL6825152 | 0.89 | ABCC1 (0.78) | ABCC1ABCG2ABCB1CYP3A4 | |
| SCHEMBL6921494 | 0.89 | ABCC1 (0.80) | ABCC1ABCG2ABCB1CYP3A4 | |
| SCHEMBL6822285 | 0.88 | ABCC1 (0.85) | ABCC1ABCG2ABCB1CYP3A4 | |
| Hydrochloric Acid SCHEMBL6822833 | 0.88 | ABCC1 (0.76) | ABCC1ABCG2ABCB1CYP3A4 | |
| SCHEMBL6918211 | 0.87 | ABCC1 (0.75) | ABCC1ABCG2ABCB1CYP3A4 | |
| SCHEMBL6918208 | 0.87 | ABCC1 (0.75) | ABCC1ABCG2ABCB1CYP3A4 | |
| SCHEMBL6825374 | 0.85 | ABCC1 (0.71) | ABCC1ABCG2ABCB1CYP3A4 |
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-2004065389-A1 | PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE | XENOVA LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |