Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | DDR1 | Q08345 | 4/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | UGT1A4 | P22310 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3933818 | 0.87 | ALDH1A1 (0.46) | ALDH1A1MAPTKDM4EDDR1HDAC6 | |
| SCHEMBL4950668 | 0.87 | CHKA (0.53) | CHKAALDH1A1MAPTKDM4EKDM1A | |
| SCHEMBL24071005 | 0.83 | CYP2D6 (0.53) | CHKAALDH1A1KDM1ADDR1TSHR | |
| SCHEMBL4214921 | 0.81 | NMT1 (0.37) | CHKAALDH1A1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL937808 | 0.78 | NOTUM (0.41) | ALDH1A1KDM4EGAACYP19A1UGT1A4 | |
| SCHEMBL936288 | 0.77 | NOTUM (0.46) | ALDH1A1KDM4ETSHRGAA | |
| SCHEMBL4248747 | 0.77 | LMNA (0.48) | CHKAALDH1A1MAPTKDM4EHSD17B10 | |
| SCHEMBL23013004 | 0.77 | CHKA (0.58) | CHKAALDH1A1MAPTKDM4EKDM1A | |
| SCHEMBL16829150 | 0.77 | CHKA (0.55) | CHKAALDH1A1MAPTKDM4EKDM1A | |
| SCHEMBL5004462 | 0.77 | NOTUM (0.40) | ALDH1A1KDM4EHSD17B10GAAMEN1 |
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 |