Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.50 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 2/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.33 |
| ▸ | HTR3A | P46098 | 3/20 | 0.33 |
| ▸ | HTR5A | P47898 | 3/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11386072 | 0.72 | CHEK1 (0.55) | CHEK1LIMK1CES1TGM2AHR | |
| SCHEMBL13868943 | 0.68 | CHEK1 (0.59) | CHEK1LIMK1CES1TGM2AHR | |
| SCHEMBL13868946 | 0.68 | CHEK1 (0.59) | CHEK1LIMK1CES1TGM2AHR | |
| SCHEMBL23092730 | 0.68 | CHEK1 (0.39) | CHEK1LIMK1CES1TGM2AHR | |
| Fluoride SCHEMBL3292595 | 0.66 | — | — | |
| SCHEMBL23092724 | 0.66 | CHEK1 (0.37) | CHEK1LIMK1CES1TGM2NOX1 | |
| SCHEMBL15415495 | 0.66 | CHEK1 (0.40) | CHEK1LIMK1AHRCMA1PDE7A | |
| SCHEMBL13826690 | 0.63 | CHEK1 (0.69) | CHEK1LIMK1CES1TGM2AHR | |
| SCHEMBL9076137 | 0.62 | CHEK1 (0.44) | CHEK1LIMK1CES1TGM2AHR | |
| SCHEMBL22431926 | 0.60 | CHEK1 (0.41) | CHEK1LIMK1CES1TGM2AHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008080015-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2008-07-03 | — | — | WO | disclosed |