Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 16/20 | 0.77 |
| ▸ | RET | P07949 | 2/20 | 0.63 |
| ▸ | CDK2 | P24941 | 2/20 | 0.63 |
| ▸ | GSK3B | P49841 | 2/20 | 0.63 |
| ▸ | ITK | Q08881 | 2/20 | 0.63 |
| ▸ | MERTK | Q12866 | 2/20 | 0.63 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.63 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.63 |
| ▸ | MAP3K6 | O95382 | 2/20 | 0.62 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | HTR1D | P28221 | 1/20 | 0.53 |
| ▸ | HTR1B | P28222 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3485861 | 0.87 | MAP3K5 (1.00) | MAP3K5RETCDK2GSK3BITK | |
| SCHEMBL3486198 | 0.86 | MAP3K5 (0.79) | MAP3K5RETCDK2GSK3BITK | |
| SCHEMBL3485629 | 0.85 | MAP3K5 (0.77) | MAP3K5RETCDK2GSK3BITK | |
| SCHEMBL3486403 | 0.85 | MAP3K5 (0.78) | MAP3K5RETCDK2GSK3BITK | |
| SCHEMBL3485716 | 0.85 | MAP3K5 (1.00) | MAP3K5RETCDK2GSK3BITK | |
| SCHEMBL3486097 | 0.85 | MAP3K5 (1.00) | MAP3K5RETCDK2GSK3BITK | |
| SCHEMBL3486191 | 0.85 | MAP3K5 (1.00) | MAP3K5RETCDK2GSK3BITK | |
| SCHEMBL3486315 | 0.83 | MAP3K5 (0.74) | MAP3K5RETCDK2GSK3BITK | |
| SCHEMBL3486067 | 0.83 | MAP3K5 (1.00) | MAP3K5RETCDK2GSK3BITK | |
| SCHEMBL3486615 | 0.82 | MAP3K5 (0.72) | MAP3K5RETCDK2GSK3BITK |
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-2058309-A1 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-05-13 | — | — | EP | disclosed |