Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 5/20 | 0.37 |
| ▸ | BRAF | P15056 | 4/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 6/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9980493 | 0.90 | TNNI3K (0.36) | TNNI3KBRAFCA1CA2CA9 | |
| SCHEMBL9980424 | 0.87 | TNNI3K (0.35) | TNNI3KBRAFCA1CA2CA7 | |
| SCHEMBL9980416 | 0.83 | TNNI3K (0.43) | TNNI3KBRAFJAK3CA1CA2 | |
| SCHEMBL12067033 | 0.76 | TNNI3K (0.62) | TNNI3KBRAFWDR5KMT2A | |
| SCHEMBL9980375 | 0.75 | TNNI3K (0.40) | TNNI3KBRAFCA1CA2CA7 | |
| SCHEMBL9980404 | 0.74 | STK4 (0.39) | TNNI3KBRAFKMT2AEGFR | |
| SCHEMBL9980448 | 0.73 | LRRK2 (0.42) | TNNI3KBRAFCA1CA2CA9 | |
| SCHEMBL9980486 | 0.71 | FFAR2 (0.33) | CA1WDR5KMT2ACA2CA7 | |
| SCHEMBL1809126 | 0.68 | SRC (0.43) | TNNI3KBRAFKMT2AEGFR | |
| SCHEMBL9980393 | 0.68 | TNNI3K (0.40) | TNNI3KBRAFCA1CA2EGFR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011149827-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-12-01 | — | — | WO | claimed |
| WO-2011149827-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-12-01 | — | — | WO | disclosed |