Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 19/20 | 0.71 |
| ▸ | ABCG2 | Q9UNQ0 | 11/20 | 0.71 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6823066 | 0.83 | ABCC1 (1.00) | ABCC1ABCG2ABCB1 | |
| SCHEMBL6922076 | 0.78 | ABCC1 (0.77) | ABCC1ABCG2ABCB1 | |
| SCHEMBL6920314 | 0.78 | ABCC1 (1.00) | ABCC1ABCG2ABCB1 | |
| SCHEMBL6917425 | 0.78 | ABCC1 (1.00) | ABCC1ABCG2ABCB1 | |
| SCHEMBL6919341 | 0.78 | ABCC1 (1.00) | ABCC1ABCG2ABCB1 | |
| SCHEMBL6922126 | 0.77 | ABCC1 (1.00) | ABCC1ABCG2ABCB1 | |
| SCHEMBL7162267 | 0.77 | ABCC1 (0.69) | ABCC1ABCG2ABCB1 | |
| SCHEMBL6922075 | 0.77 | ABCC1 (0.72) | ABCC1ABCG2ABCB1 | |
| SCHEMBL6920883 | 0.77 | ABCC1 (0.72) | ABCC1ABCG2ABCB1 | |
| SCHEMBL6917558 | 0.76 | ABCC1 (1.00) | ABCC1ABCG2ABCB1 |
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 |