Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28876222 | 0.81 | ALDH1A1 (0.41) | CYP1A2CYP2C19CYP3A4CLK4TSHR | |
| SCHEMBL26046037 | 0.79 | KMO (0.54) | CYP1A2CYP2C19CLK4CYP2D6ALDH1A1 | |
| SCHEMBL2414963 | 0.77 | CYP1A2 (0.51) | CYP1A2CYP2C19CYP3A4CLK4TSHR | |
| SCHEMBL10939790 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP3A4CLK4TSHR | |
| SCHEMBL2411099 | 0.72 | CYP1A2 (0.54) | CYP1A2CYP2C19CYP3A4CLK4TSHR | |
| SCHEMBL28318321 | 0.71 | ADORA2B (0.43) | MAPK1ALDH1A1TP53MAPTMEN1 | |
| SCHEMBL1445151 | 0.68 | MIF (0.56) | CYP1A2CYP2C19CYP3A4CLK4TSHR | |
| SCHEMBL26046036 | 0.68 | L3MBTL1 (0.35) | CYP3A4MAPK1ALOX15ALDH1A1MAPT | |
| SCHEMBL28479488 | 0.66 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP3A4CLK4TSHR | |
| SCHEMBL2413746 | 0.66 | AVPR2 (0.41) | CYP1A2CYP2C19CYP3A4CLK4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-110214012-A | Azole pyrimidines for the treatment of cancer-related diseases | 艾库斯生物科学有限公司 | 2019-09-06 | — | — | CN | disclosed |