Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28317349 | 0.81 | CYP1A2 (0.46) | ALDH1A1CYP1A2CYP2D6HSD17B10CLK4 | |
| SCHEMBL26046037 | 0.77 | KMO (0.54) | ALDH1A1CYP1A2CYP2D6HSD17B10CLK4 | |
| SCHEMBL28318321 | 0.69 | ADORA2B (0.43) | ALDH1A1HSD17B10L3MBTL1KDM4ETP53 | |
| SCHEMBL8109115 | 0.69 | L3MBTL1 (0.49) | ALDH1A1CYP2D6LMNADPP4CYP3A4 | |
| SCHEMBL12893382 | 0.66 | DPP4 (0.48) | ALDH1A1CLK4LMNADPP4KDM4E | |
| SCHEMBL28514333 | 0.66 | ASIC3 (0.51) | ALDH1A1CYP1A2CYP2D6HSD17B10LMNA | |
| SCHEMBL30507472 | 0.66 | ASIC3 (0.51) | ALDH1A1CYP1A2CYP2D6HSD17B10LMNA | |
| SCHEMBL26046036 | 0.66 | L3MBTL1 (0.35) | ALDH1A1HSD17B10CYP3A4L3MBTL1MAPK1 | |
| SCHEMBL24312484 | 0.65 | DPP4 (0.46) | CYP1A2CYP2D6CLK4LOXL2DPP4 | |
| SCHEMBL23374466 | 0.65 | KMO (0.54) | CYP1A2CYP2C9KMOCYP2C19 |
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 |