Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | BRD4 | O60885 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.34 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| SCHEMBL26340591 | 0.84 | DRD3 (0.36) | DRD3BRD4TLR7LRRK2CYP2D6 | |
| SCHEMBL26161863 | 0.78 | HCRTR1 (0.33) | DRD3BRD4LRRK2CYP2D6SLC6A2 | |
| SCHEMBL26161869 | 0.77 | DRD3 (0.49) | DRD3CHRM2HTR1AHTR2BTLR8 | |
| SCHEMBL12919984 | 0.71 | HPGD (0.44) | DRD3BRD4CHRM2HTR1AHTR2B | |
| SCHEMBL24394595 | 0.70 | GSK3B (0.45) | DRD3CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12386331 | 0.70 | DRD3 (0.43) | DRD3CHRM2HTR1AHTR2BCYP2D6 | |
| SCHEMBL26161862 | 0.70 | CHRM2 (0.45) | DRD3CHRM2HTR1AHTR2BTLR8 | |
| SCHEMBL16510079 | 0.69 | CYP2D6 (0.52) | DRD3CHRM2HTR1AHTR2BCYP2D6 | |
| SCHEMBL13257724 | 0.69 | CYP2D6 (0.52) | DRD3CHRM2HTR1AHTR2BCYP2D6 | |
| SCHEMBL2743213 | 0.69 | CYP2D6 (0.52) | DRD3CHRM2HTR1AHTR2BCYP2D6 |
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-2021249449-A1 | SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF | BETTA PHARMACEUTICALS CO., LTD (CN) | 2021-12-16 | — | — | WO | disclosed |