Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13609212 | 0.89 | AAK1 (0.38) | MAPK8MAPK9MAPK10GSK3BPDGFRB | |
| SCHEMBL13609209 | 0.88 | MAPK8 (0.32) | MAPK8MAPK9MAPK10GSK3BPDGFRB | |
| SCHEMBL13609214 | 0.86 | GRM5 (0.32) | MAPK8MAPK9MAPK10GSK3B | |
| SCHEMBL13609215 | 0.85 | ADK (0.35) | MAPK8MAPK9MAPK10GSK3B | |
| SCHEMBL13609216 | 0.81 | — | — | |
| SCHEMBL13746285 | 0.80 | KIT (0.34) | MAPK8MAPK9MAPK10GSK3BPDGFRB | |
| SCHEMBL14031069 | 0.79 | KDM4E (0.33) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL13745903 | 0.79 | MAPK8 (0.37) | MAPK8MAPK9MAPK10GSK3BPDGFRB | |
| SCHEMBL13745791 | 0.79 | MAPK8 (0.31) | MAPK8MAPK9MAPK10PDGFRBPDGFRA | |
| SCHEMBL13609206 | 0.77 | CNR1 (0.35) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C19 |
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 |