Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.61 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 5/20 | 0.35 |
| ▸ | STK3 | Q13188 | 6/20 | 0.33 |
| ▸ | STK4 | Q13043 | 3/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 6/20 | 0.33 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.33 |
| ▸ | TAB1 | Q15750 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.32 |
| ▸ | CDK1 | P06493 | 3/20 | 0.32 |
| ▸ | PHKG2 | P15735 | 3/20 | 0.32 |
| ▸ | PRKACA | P17612 | 3/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.32 |
| ▸ | CDK2 | P24941 | 3/20 | 0.32 |
| ▸ | MARK3 | P27448 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2321413 | 0.80 | CHEK1 (0.61) | CHEK1NOTUMAURKAAKT1STK3 | |
| SCHEMBL1598149 | 0.79 | CHEK1 (0.66) | CHEK1NOTUMAURKAAKT1TRPA1 | |
| SCHEMBL31329069 | 0.79 | CHEK1 (0.66) | CHEK1NOTUMAURKAAKT1TRPA1 | |
| SCHEMBL153752 | 0.78 | CHEK1 (0.63) | CHEK1NOTUMAURKAAKT1STK3 | |
| SCHEMBL2323682 | 0.78 | CHEK1 (0.63) | CHEK1NOTUMAURKAAKT1STK3 | |
| SCHEMBL154600 | 0.76 | CHEK1 (0.61) | CHEK1NOTUMAURKAAKT1DYRK1A | |
| SCHEMBL61206 | 0.76 | CHEK1 (1.00) | CHEK1NOTUMAURKAAKT1STK3 | |
| SCHEMBL357993 | 0.76 | CHEK1 (0.61) | CHEK1NOTUMAURKAAKT1TRPA1 | |
| SCHEMBL3236479 | 0.76 | CHEK1 (0.56) | CHEK1NOTUMAURKASTK3STK4 | |
| SCHEMBL155227 | 0.74 | CHEK1 (0.54) | CHEK1NOTUMMAP3K7TAB1JAK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013012915-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS INC. (US) | 2013-01-24 | — | — | WO | disclosed |
| WO-2012064973-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| WO-2011146882-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | INTELLIKINE, INC. (US) | 2011-11-24 | — | — | WO | disclosed |