Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 16/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 10/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6922260 | 0.85 | ABCC1 (0.73) | ABCC1ABCG2ABCB1ALDH1A1KDM4E | |
| SCHEMBL7069188 | 0.84 | ABCC1 (0.72) | ABCC1ABCG2ABCB1ALDH1A1KDM4E | |
| SCHEMBL6919341 | 0.76 | ABCC1 (1.00) | ABCC1ABCG2ABCB1 | |
| SCHEMBL6923338 | 0.73 | ABCC1 (0.73) | ABCC1ABCG2ABCB1 | |
| SCHEMBL7156737 | 0.73 | ABCC1 (0.56) | ABCC1ABCG2ABCB1 | |
| SCHEMBL6823066 | 0.71 | ABCC1 (1.00) | ABCC1ABCG2ABCB1 | |
| SCHEMBL859357 | 0.70 | RXFP1 (0.70) | ABCC1ABCG2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL18292476 | 0.69 | RXFP1 (1.00) | ABCC1ABCG2ABCB1ALDH1A1KDM4E | |
| SCHEMBL6922257 | 0.69 | RXFP1 (0.72) | ABCC1ABCG2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL6922364 | 0.68 | ABCC1 (0.72) | 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 |