Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.48 |
| ▸ | ATR | Q13535 | 1/20 | 0.46 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4210224 | 0.82 | APLNR (0.54) | ADORA3ADORA1SMN1; SMN2MEN1MAPT | |
| SCHEMBL4206294 | 0.80 | HSP90AA1 (0.51) | ADORA3ADORA1HSP90AA1HSP90AB1DCTPP1 | |
| SCHEMBL4204970 | 0.79 | ADORA3 (0.51) | ADORA3ADORA1ADORA2AHSP90AA1HSP90AB1 | |
| SCHEMBL4268096 | 0.78 | ADORA1 (0.55) | ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL4200702 | 0.74 | HSP90AA1 (0.51) | ADORA3ADORA1ADORA2AHSP90AA1HSP90AB1 | |
| SCHEMBL4206708 | 0.73 | HSP90AA1 (0.44) | ADORA3ADORA1HSP90AA1HSP90AB1ATR | |
| SCHEMBL4490553 | 0.72 | HSP90AA1 (0.58) | ADORA3ADORA1HSP90AA1HSP90AB1HSD17B10 | |
| SCHEMBL16965029 | 0.70 | S1PR2 (0.44) | ADORA3SMN1; SMN2MEN1MAPTRAB9A | |
| SCHEMBL2468801 | 0.69 | HSP90AA1 (0.54) | ADORA3ADORA1ADORA2AHSP90AA1HSP90AB1 | |
| SCHEMBL26877045 | 0.69 | HSP90AA1 (0.49) | ADORA3ADORA1HSP90AA1HSP90AB1DCTPP1 |
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-1921066-A1 | PYRIDYLPHENOL COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2008-05-14 | — | — | EP | disclosed |