Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11446331 | 0.82 | PTK2 (0.51) | ALDH1A1SMN1; SMN2KDM4EPTK2L3MBTL1 | |
| SCHEMBL9198708 | 0.79 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KDM4EPTK2PGK1 | |
| SCHEMBL913171 | 0.79 | L3MBTL1 (0.39) | ALDH1A1SMN1; SMN2KDM4EPTK2CA1 | |
| SCHEMBL9648858 | 0.78 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KDM4EPTK2L3MBTL1 | |
| SCHEMBL10388715 | 0.78 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KDM4EPTK2PGK1 | |
| SCHEMBL3934366 | 0.77 | CYP1A2 (0.40) | ALDH1A1KDM4EL3MBTL1PIK3CATDP1 | |
| SCHEMBL9646715 | 0.77 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2KDM4EPTK2PGK1 | |
| SCHEMBL9646590 | 0.77 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2KDM4EPTK2PGK1 | |
| SCHEMBL3590963 | 0.76 | GRM4 (0.41) | ALDH1A1SMN1; SMN2KDM4EGAAMEN1 | |
| SCHEMBL28110473 | 0.76 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1GAA |
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 |