Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 14/20 | 0.59 |
| ▸ | EGFR | P00533 | 7/20 | 0.59 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.59 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.59 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.45 |
| ▸ | FECH | P22830 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | MAP2K5 | Q13163 | 1/20 | 0.43 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1095086 | 0.86 | SCN9A (0.47) | ERBB2EGFRERBB3ERBB4SCN9A | |
| SCHEMBL2747899 | 0.80 | ERBB2 (0.63) | ERBB2EGFRERBB3ERBB4SCN9A | |
| SCHEMBL2748335 | 0.80 | ERBB2 (0.63) | ERBB2EGFRERBB3ERBB4SCN9A | |
| Iodide SCHEMBL3900898 | 0.79 | ERBB2 (0.62) | ERBB2EGFRERBB3ERBB4SCN9A | |
| SCHEMBL4866251 | 0.78 | EGFR (0.67) | ERBB2EGFRERBB3ERBB4KCNH2 | |
| SCHEMBL6977010 | 0.78 | ERBB2 (0.57) | ERBB2EGFRERBB3ERBB4SCN9A | |
| SCHEMBL5528620 | 0.77 | ERBB2 (0.60) | ERBB2EGFRERBB3ERBB4KCNH2 | |
| SCHEMBL24167693 | 0.76 | ERBB2 (0.63) | ERBB2EGFRERBB3ERBB4KCNH2 | |
| SCHEMBL5566581 | 0.75 | ERBB2 (0.69) | ERBB2EGFRERBB3ERBB4KCNH2 | |
| SCHEMBL20395624 | 0.75 | EGFR (0.66) | ERBB2EGFRERBB3ERBB4KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8153791-B2 | substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-04-10 | — | — | US | disclosed |