Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 5/20 | 0.49 |
| ▸ | TNNI3K | Q59H18 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | BCR | P11274 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2225786 | 0.88 | BRAF (0.50) | BRAFTNNI3KKDM4EGAAEGFR | |
| SCHEMBL2225876 | 0.87 | BRAF (0.63) | BRAFTNNI3KKDM4EGAAEGFR | |
| SCHEMBL2226948 | 0.85 | BRAF (0.48) | BRAFTNNI3KKDM4EGAAEGFR | |
| SCHEMBL2228424 | 0.80 | TNNI3K (0.61) | BRAFTNNI3KEGFRERBB3ABL1 | |
| SCHEMBL2226257 | 0.79 | TNNI3K (0.49) | BRAFTNNI3KKDM4EGAAEGFR | |
| SCHEMBL14323163 | 0.79 | BRAF (0.77) | BRAFTNNI3KEGFR | |
| SCHEMBL2226387 | 0.79 | BRAF (0.51) | BRAFTNNI3KEGFRERBB3LMNA | |
| SCHEMBL2225198 | 0.78 | TNNI3K (0.48) | BRAFTNNI3KEGFRERBB3ABL1 | |
| SCHEMBL2227178 | 0.77 | TNNI3K (0.61) | BRAFTNNI3KEGFRABL1BCR | |
| SCHEMBL2225756 | 0.76 | BRAF (0.62) | BRAFTNNI3KEGFRERBB3LMNA |
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 |