Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.41 |
| ▸ | PDE4A | P27815 | 3/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16789827 | 0.88 | PDE10A (0.42) | BACE1CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL21249496 | 0.86 | BACE1 (0.39) | BACE1CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL21249492 | 0.86 | BACE1 (0.39) | BACE1CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL15103644 | 0.84 | BACE1 (0.37) | BACE1CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL21249439 | 0.82 | HRH4 (0.55) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL24821652 | 0.79 | PDE10A (0.38) | BACE1CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL15103604 | 0.79 | BACE1 (0.33) | BACE1CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL2403564 | 0.78 | HRH4 (0.50) | HRH4ALDH1A1MAPT | |
| SCHEMBL6396181 | 0.77 | CHRM3 (0.43) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2034798 | 0.77 | CHEK1 (0.47) | HRH4 |
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-2011079343-A2 | SUBSTITUTED PYRIDINES AND PYRIMIDINES | TECHNISCHE UNIVERSITAET WIEN (AT) | 2011-07-07 | — | — | WO | disclosed |