Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | DDR1 | Q08345 | 4/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | UGT1A4 | P22310 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3934249 | 0.87 | CHKA (0.48) | ALDH1A1MAPTKDM4EGAATSHR | |
| SCHEMBL4949624 | 0.86 | ALDH1A1 (0.55) | ALDH1A1MAPTKDM4EGAATSHR | |
| SCHEMBL30934698 | 0.82 | DDR1 (0.52) | ALDH1A1MAPTKDM4ETSHRDDR1 | |
| SCHEMBL15846718 | 0.82 | DDR1 (0.52) | ALDH1A1MAPTKDM4ETSHRDDR1 | |
| Lithium SCHEMBL30697091 | 0.81 | DDR1 (0.52) | ALDH1A1MAPTKDM4ETSHRDDR1 | |
| SCHEMBL29129019 | 0.81 | DDR1 (0.52) | ALDH1A1MAPTKDM4ETSHRDDR1 | |
| SCHEMBL4248747 | 0.80 | LMNA (0.48) | ALDH1A1MAPTKDM4EGAATSHR | |
| SCHEMBL4243942 | 0.77 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EGAATSHR | |
| SCHEMBL15847356 | 0.76 | HDAC6 (0.48) | ALDH1A1MAPTKDM4EGAAHDAC6 | |
| SCHEMBL15131552 | 0.76 | HDAC6 (0.45) | ALDH1A1MAPTKDM4EHDAC6MC4R |
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 |
|---|---|---|---|---|---|---|---|
| EP-1831198-B1 | PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2009-04-08 | — | — | EP | disclosed |