Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4209885 | 0.78 | BRD4 (0.43) | CHEK1MAOBCSNK2A1CLK1CDK8 | |
| SCHEMBL13609202 | 0.75 | CHEK1 (0.39) | CHEK1MAOBCSNK2A1CLK1MAOA | |
| SCHEMBL4351841 | 0.72 | CHEK1 (0.58) | CHEK1MAOBCLK1MAOAPDGFRB | |
| SCHEMBL13572633 | 0.71 | CHEK1 (0.57) | CHEK1MAOBCSNK2A1CLK1MAOA | |
| SCHEMBL12666338 | 0.67 | CHEK1 (1.00) | CHEK1 | |
| SCHEMBL10095369 | 0.65 | NR4A2 (0.42) | MAOA | |
| SCHEMBL16532869 | 0.65 | PDGFRB (0.59) | CHEK1CLK1PDGFRBPDGFRAGRIN2B | |
| SCHEMBL9359303 | 0.64 | KCNH2 (0.50) | MAOBCSNK2A1MAOA | |
| SCHEMBL2981795 | 0.64 | CYP2A6 (0.51) | CHEK1CHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL13250553 | 0.64 | KCNH2 (0.46) | MAOBCSNK2A1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-7612086-B2 | Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation | EISAI R & D MANAGEMENT CO. LTD. (JP) | 2009-11-03 | — | — | US | disclosed |