Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.38 |
| ▸ | CLK1 | P49759 | 3/20 | 0.38 |
| ▸ | CLK2 | P49760 | 3/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5809952 | 0.95 | MAPT (0.42) | ESR1CLK4CLK1CLK2DYRK1A | |
| SCHEMBL5118413 | 0.95 | ESR1 (0.41) | ESR1CLK4CLK1CLK2DYRK1A | |
| SCHEMBL5118059 | 0.90 | MAPT (0.45) | ESR1CLK4DYRK1AMAPTNPSR1 | |
| SCHEMBL5814533 | 0.89 | NPC1 (0.43) | ESR1CLK4CLK1CLK2DYRK1A | |
| SCHEMBL7617167 | 0.87 | TGFBR1 (0.38) | ESR1CHRM4MAPTTGFBR1ALDH1A1 | |
| SCHEMBL7515097 | 0.85 | ALDH1A1 (0.43) | CLK4CLK1CLK2DYRK1ADYRK1B | |
| SCHEMBL5814433 | 0.85 | CHRM4 (0.39) | CLK4CLK1CLK2DYRK1ADYRK1B | |
| SCHEMBL5122486 | 0.84 | ESR1 (0.48) | ESR1CLK4CLK1CLK2DYRK1A | |
| SCHEMBL5123277 | 0.84 | HIF1A (0.46) | ESR1CLK4CHRM4MAPTNPSR1 | |
| SCHEMBL5121690 | 0.83 | CHRM4 (0.41) | CLK4CLK1CLK2DYRK1ADYRK1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998006722-A1 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 1998-02-19 | — | — | WO | disclosed |