Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.38 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL24367667 | 0.81 | ALDH1A1 (0.40) | PIK3CAPIK3CGALDH1A1KDM4EKDR | |
| SCHEMBL29477633 | 0.81 | ALDH1A1 (0.40) | PIK3CAPIK3CGALDH1A1KDM4EKDR | |
| SCHEMBL14833752 | 0.78 | GAA (0.40) | CYP1A2ALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL913171 | 0.77 | L3MBTL1 (0.39) | PIK3CAALDH1A1KDM4EMAPTEGFR | |
| SCHEMBL3934451 | 0.77 | ALDH1A1 (0.44) | PIK3CAALDH1A1KDM4ETDP1MEN1 | |
| SCHEMBL28917019 | 0.75 | RAB9A (0.53) | ALDH1A1KDRMEN1KMT2A | |
| SCHEMBL29886943 | 0.75 | RAB9A (0.53) | ALDH1A1KDRMEN1KMT2A | |
| SCHEMBL22556887 | 0.73 | KDM4E (0.46) | CYP1A2ALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL19127706 | 0.73 | CYP3A4 (0.47) | CYP1A2ALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL19814321 | 0.73 | PIK3CA (0.43) | PIK3CAPIK3CGALDH1A1KDM4EMAPT |
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 2 patents. 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 |
| CN-101128454-A | Pyridine carboxamide derivatives for use as anticancer agents | ASTRAZENECA AB (SE) | 2008-02-20 | — | — | CN | disclosed |