Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.35 |
| ▸ | BRAF | P15056 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | 0.91 | TNNI3K (0.36) | TNNI3KFFAR2BRAFCA1CA2 | |
| SCHEMBL9980436 | 0.87 | TNNI3K (0.37) | TNNI3KBRAFCA1CA2CA7 | |
| SCHEMBL9980416 | 0.83 | TNNI3K (0.43) | TNNI3KFFAR2BRAFCA1CA2 | |
| SCHEMBL12067159 | 0.78 | TNNI3K (0.57) | TNNI3KBRAF | |
| SCHEMBL9980486 | 0.76 | FFAR2 (0.33) | FFAR2CA1CA2CA7CA13 | |
| SCHEMBL9980375 | 0.73 | TNNI3K (0.40) | TNNI3KBRAFCA1CA2CA7 | |
| SCHEMBL9980404 | 0.71 | STK4 (0.39) | TNNI3KBRAFEGFRLMNALRRK2 | |
| SCHEMBL9980448 | 0.70 | LRRK2 (0.42) | TNNI3KBRAFCA1CA2EGFR | |
| SCHEMBL12066468 | 0.69 | TNNI3K (0.55) | TNNI3KBRAF | |
| SCHEMBL1809126 | 0.69 | SRC (0.43) | TNNI3KBRAFEGFRLMNA |
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 |