Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.42 |
| ▸ | JAK3 | P52333 | 5/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2224438 | 0.81 | TNNI3K (0.57) | EGFRERBB3JAK3CCNT1CDK9 | |
| SCHEMBL2226138 | 0.81 | TNNI3K (0.57) | EGFRERBB3CDK1JAK3CA9 | |
| SCHEMBL2225416 | 0.81 | NTRK1 (0.56) | EGFRERBB3MAPTCDK2JAK3 | |
| SCHEMBL2225639 | 0.81 | EGFR (0.44) | EGFRERBB3ALDH1A1GAACDK1 | |
| SCHEMBL2226929 | 0.81 | ALDH1A1 (0.48) | EGFRERBB3KDM4EALDH1A1MAPT | |
| SCHEMBL2224478 | 0.81 | NTRK1 (0.47) | EGFRERBB3CA1CDK1CCNB1 | |
| SCHEMBL2228327 | 0.81 | CYP1A2 (0.52) | EGFRERBB3KDM4EALDH1A1JAK3 | |
| SCHEMBL2225022 | 0.79 | KDR (0.46) | EGFRERBB3CDK1CCNB1CCNA2 | |
| SCHEMBL2225667 | 0.79 | JAK1 (0.47) | EGFRERBB3CDK1CCNB1CCNA2 | |
| SCHEMBL2225795 | 0.78 | NTRK1 (0.46) | EGFRERBB3CA12CA1CA2 |
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-2523559-A1 | COMPOUNDS AND METHODS | GlaxoSmithKline LLC (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011088027-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-07-21 | — | — | WO | disclosed |