Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.34 |
| ▸ | F12 | P00748 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1005208 | 0.91 | ADORA1 (0.40) | ESR2ADORA1NR1H2PARP1TNKS2 | |
| SCHEMBL4760408 | 0.83 | DPP4 (0.47) | ESR2ADORA1NR1H2DDB1CRBN | |
| SCHEMBL18852439 | 0.81 | ESR2 (0.39) | ESR2ADORA1NR1H2DDB1CRBN | |
| SCHEMBL4762470 | 0.80 | DPP4 (0.49) | ESR2ADORA1NR1H2HDAC1HDAC6 | |
| SCHEMBL1008205 | 0.79 | LMNA (0.56) | ADORA1DDB1CRBNCTSS | |
| SCHEMBL15730073 | 0.76 | DPP4 (0.47) | ESR2ADORA1NR1H2PARP1TNKS2 | |
| SCHEMBL1007338 | 0.75 | TRPM2 (0.45) | ADORA1MAPT | |
| SCHEMBL14555911 | 0.74 | ADORA1 (0.41) | ESR2ADORA1NR1H2DDB1CRBN | |
| SCHEMBL15730211 | 0.74 | DPP4 (0.38) | ADORA1NR1H2DDB1CRBNDPP4 | |
| SCHEMBL17066905 | 0.74 | ADORA1 (0.42) | ESR2ADORA1NR1H2DPP4DPP8 |
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-2269990-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | EP | disclosed |