Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | USP7 | Q93009 | 1/20 | 0.32 |
| ▸ | GALR2 | O43603 | 1/20 | 0.32 |
| ▸ | GALR1 | P47211 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | CTSE | P14091 | 1/20 | 0.31 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28410288 | 0.94 | KDM1A (0.34) | P2RX7P2RX3HTR6BACE1KDM1A | |
| SCHEMBL17543545 | 0.94 | OPRD1 (0.31) | OPRD1OPRK1 | |
| SCHEMBL17543543 | 0.94 | OPRD1 (0.31) | OPRD1OPRK1 | |
| SCHEMBL28413757 | 0.92 | HTR6 (0.34) | P2RX7P2RX3HTR6BACE1KDM1A | |
| SCHEMBL28891831 | 0.92 | HTR6 (0.34) | P2RX7P2RX3HTR6BACE1KDM1A | |
| SCHEMBL28418880 | 0.90 | HTR6 (0.35) | P2RX3HTR6BACE1KDM1APDE4A | |
| SCHEMBL28413288 | 0.90 | HTR6 (0.35) | P2RX3HTR6BACE1KDM1APDE4A | |
| SCHEMBL28418432 | 0.89 | HTR6 (0.34) | P2RX3HTR6BACE1KDM1AUSP7 | |
| SCHEMBL17543038 | 0.88 | GRM2 (0.31) | OPRD1OPRK1 | |
| SCHEMBL17543780 | 0.86 | CHRM5 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106795117-B | Heterobicyclic compounds and their use for the treatment of tuberculosis | 大塚制药株式会社 | 2020-06-26 | — | — | CN | disclosed |