Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 16/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 5/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9986121 | 0.86 | TNNI3K (0.52) | TNNI3KALDH1A1MAPTBRAF | |
| SCHEMBL9986467 | 0.84 | TNNI3K (0.62) | TNNI3KKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL9985768 | 0.82 | TNNI3K (0.48) | TNNI3KBRAF | |
| SCHEMBL9986078 | 0.80 | TNNI3K (0.57) | TNNI3KMAPTBRAF | |
| SCHEMBL9985723 | 0.79 | TNNI3K (0.59) | TNNI3KMAPTBRAF | |
| SCHEMBL9986587 | 0.78 | TNNI3K (0.64) | TNNI3KBRAF | |
| SCHEMBL12067134 | 0.78 | TNNI3K (1.00) | TNNI3KBRAF | |
| SCHEMBL12066418 | 0.78 | TNNI3K (1.00) | TNNI3KBRAF | |
| SCHEMBL12067143 | 0.78 | TNNI3K (1.00) | TNNI3KBRAF | |
| SCHEMBL9987032 | 0.77 | TNNI3K (0.64) | TNNI3KKDM4EALDH1A1MAPTHPGD |
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 |