Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 2/20 | 0.46 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
| ▸ | CLK3 | P49761 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL18766632 | 0.83 | MAP3K14 (0.41) | TGFBR1TNFMAP3K14PIK3CAMTOR | |
| SCHEMBL18785910 | 0.83 | PIK3CA (0.42) | TGFBR1MAP3K14PIK3CAMTORADORA2A | |
| SCHEMBL17697688 | 0.83 | MAP3K14 (0.41) | TGFBR1TNFMAP3K14PIK3CAMTOR | |
| SCHEMBL24803785 | 0.81 | ADORA2A (0.41) | TGFBR1MAP3K14PIK3CAMTORADORA2A | |
| SCHEMBL21083345 | 0.80 | TGFBR1 (0.53) | TGFBR1TNFMAP3K14CA2MET | |
| SCHEMBL18766649 | 0.77 | GAA (0.39) | TNFMAP3K14PIK3CAMTORADORA2A | |
| SCHEMBL3846731 | 0.77 | CA2 (0.51) | MAP3K14PIK3CAMTORCA2CDK2 | |
| SCHEMBL23873085 | 0.76 | TGFBR1 (0.47) | TGFBR1TNFCA2FLT3MET | |
| SCHEMBL23872984 | 0.76 | TGFBR1 (0.47) | TGFBR1TNFCA2METCA12 | |
| SCHEMBL18766610 | 0.76 | GAA (0.41) | TNFADORA2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3492461-A1 | NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | Shanghai Yingli Pharmaceutical Co. Ltd. (CN) | 2019-06-05 | — | — | EP | disclosed |