Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 5/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 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 | |
|---|---|---|---|---|
| SCHEMBL9980416 | 0.77 | TNNI3K (0.43) | TNNI3KSCN9ALRRK2HRH3KCNH2 | |
| SCHEMBL2226690 | 0.75 | TNNI3K (0.64) | TNNI3KPRCPCDK1CCNB1CCNA2 | |
| SCHEMBL2227169 | 0.75 | CDK1 (0.40) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL2227255 | 0.74 | SLC6A4 (0.40) | TNNI3KCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL14321934 | 0.74 | TNNI3K (0.80) | TNNI3KWDR5KMT2A | |
| SCHEMBL2225764 | 0.68 | CDK1 (0.38) | CDK1CCNB1CCNA2CCNE1CDK2 | |
| SCHEMBL2224393 | 0.68 | NTRK1 (0.45) | — | |
| SCHEMBL2225236 | 0.67 | TNNI3K (0.51) | TNNI3KJAK3CDK1CCNB1CCNA2 | |
| SCHEMBL12517788 | 0.64 | TNNI3K (1.00) | TNNI3K | |
| SCHEMBL9980493 | 0.62 | TNNI3K (0.36) | TNNI3KLRRK2CHRM4 |
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 |