Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 2/20 | 0.56 |
| ▸ | PARP1 | P09874 | 2/20 | 0.56 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.51 |
| ▸ | PLD1 | Q13393 | 4/20 | 0.51 |
| ▸ | PLD2 | O14939 | 3/20 | 0.51 |
| ▸ | CALCRL | Q16602 | 4/20 | 0.50 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22588141 | 0.93 | PLD2 (0.51) | TNKSPARP1PARP2PLD1PLD2 | |
| SCHEMBL31285839 | 0.93 | PLD2 (0.51) | TNKSPARP1PARP2PLD1PLD2 | |
| SCHEMBL29518452 | 0.90 | PLD2 (0.62) | TNKSPARP1PARP2CHRM1PLD1 | |
| SCHEMBL22605698 | 0.90 | PLD2 (0.62) | TNKSPARP1PARP2CHRM1PLD1 | |
| SCHEMBL24368197 | 0.85 | CALCRL (0.53) | PLD1PLD2CALCRLOPRM1CCR3 | |
| SCHEMBL22605756 | 0.85 | CCR3 (0.48) | TNKSPARP1PARP2PLD1PLD2 | |
| SCHEMBL29518303 | 0.85 | CALCRL (0.53) | PLD1PLD2CALCRLOPRM1CCR3 | |
| SCHEMBL31285905 | 0.81 | PLD2 (0.47) | TNKSPARP1PARP2CHRM1PLD1 | |
| SCHEMBL22587878 | 0.81 | PLD2 (0.47) | TNKSPARP1PARP2CHRM1PLD1 | |
| SCHEMBL22605642 | 0.80 | PLD2 (0.51) | TNKSPARP1PARP2PLD1PLD2 |
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-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |