Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 2/20 | 0.33 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.31 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.31 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.30 |
| ▸ | STK16 | O75716 | 1/20 | 0.30 |
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 | 0.86 | TNNI3K (0.36) | TNNI3KLRRK2FFAR2BRAFCA1 | |
| SCHEMBL9980436 | 0.83 | TNNI3K (0.37) | TNNI3KJAK3BRAFCA1CA2 | |
| SCHEMBL9980424 | 0.83 | TNNI3K (0.35) | TNNI3KLRRK2FFAR2BRAFCA1 | |
| SCHEMBL12065601 | 0.77 | TNNI3K (0.69) | TNNI3KBRAF | |
| SCHEMBL2226488 | 0.77 | TNNI3K (0.47) | TNNI3KLRRK2SCN9AJAK3KCNH2 | |
| SCHEMBL9980375 | 0.72 | TNNI3K (0.40) | TNNI3KBRAFCA1CA2CA7 | |
| SCHEMBL9980486 | 0.67 | FFAR2 (0.33) | LRRK2FFAR2CA1CA2CA7 | |
| SCHEMBL9980404 | 0.67 | STK4 (0.39) | TNNI3KLRRK2BRAFNUAK1STK16 | |
| SCHEMBL9980393 | 0.66 | TNNI3K (0.40) | TNNI3KBRAFCA1CA2ROCK1 | |
| SCHEMBL9980396 | 0.66 | TNNI3K (0.44) | TNNI3KBRAF |
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 |