Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.59 |
| ▸ | ERBB3 | P21860 | 3/20 | 0.59 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.52 |
| ▸ | CDK9 | P50750 | 2/20 | 0.52 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.51 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | ABL2 | P42684 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
| ▸ | CCNH | P51946 | 1/20 | 0.45 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2225795 | 0.81 | NTRK1 (0.46) | EGFRERBB3CCNT1CDK9TNNI3K | |
| SCHEMBL2226983 | 0.81 | CA1 (0.46) | EGFRERBB3MEN1KMT2ACYP1A2 | |
| SCHEMBL2224438 | 0.81 | TNNI3K (0.57) | EGFRERBB3CCNT1CDK9TNNI3K | |
| SCHEMBL2225416 | 0.81 | NTRK1 (0.56) | EGFRERBB3CCNT1CDK9TNNI3K | |
| SCHEMBL2226138 | 0.81 | TNNI3K (0.57) | EGFRERBB3CCNT1CDK9TNNI3K | |
| SCHEMBL2224279 | 0.80 | EGFR (0.53) | EGFRERBB3CCNT1CDK9TNNI3K | |
| SCHEMBL2228327 | 0.80 | CYP1A2 (0.52) | EGFRERBB3CCNT1CDK9TNNI3K | |
| SCHEMBL2224431 | 0.79 | EGFR (0.49) | EGFRERBB3CCNT1CDK9TNNI3K | |
| SCHEMBL2225667 | 0.78 | JAK1 (0.47) | EGFRERBB3CCNT1CDK9TNNI3K | |
| SCHEMBL4760653 | 0.78 | CYP2D6 (0.71) | CCNT1CDK9MAP4K4CDK1CDK4 |
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 4 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 | claimed |
| WO-2011088027-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-07-21 | — | — | WO | claimed |
| 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 |