Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | GRIA2 | P42262 | 11/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 11/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6920603 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KMT2AGRIA2GRIA4TSHR | |
| SCHEMBL6919584 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KMT2ATSHRHTTMAPK1 | |
| SCHEMBL6919583 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KMT2ATSHRHTTMAPK1 | |
| SCHEMBL6922029 | 0.65 | ALDH1A1 (0.45) | ALDH1A1KMT2ATSHRHTTMAPK1 | |
| SCHEMBL6922023 | 0.65 | ALDH1A1 (0.45) | ALDH1A1KMT2ATSHRHTTMAPK1 | |
| SCHEMBL6823181 | 0.64 | ALDH1A1 (0.78) | ALDH1A1KMT2ATSHRMAPK1MAPT | |
| SCHEMBL4378867 | 0.63 | ALDH1A1 (0.52) | ALDH1A1KMT2AGRIA2GRIA4MAPK1 | |
| SCHEMBL4373183 | 0.63 | GRIA2 (0.45) | ALDH1A1KMT2AGRIA2GRIA4MAPK1 | |
| SCHEMBL6672131 | 0.63 | ALDH1A1 (0.46) | ALDH1A1KMT2AGRIA2GRIA4TSHR | |
| SCHEMBL6823376 | 0.63 | ALDH1A1 (0.77) | ALDH1A1KMT2ATSHRMAPK1NPSR1 |
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 |