Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | TNKS | O95271 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.52 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.51 |
| ▸ | CCR3 | P51677 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31285930 | 0.90 | CYP3A4 (0.61) | CYP3A4TNKSPARP1PARP2CALCRL | |
| SCHEMBL22587788 | 0.90 | CYP3A4 (0.61) | CYP3A4TNKSPARP1PARP2CALCRL | |
| SCHEMBL22605465 | 0.85 | CYP3A4 (0.69) | CYP3A4TNKSPARP1PARP2OPRK1 | |
| SCHEMBL31285824 | 0.85 | CYP3A4 (0.69) | CYP3A4TNKSPARP1PARP2OPRK1 | |
| SCHEMBL24368219 | 0.84 | LMNA (0.44) | CYP3A4TNKSPARP1PARP2CALCRL | |
| SCHEMBL29518322 | 0.84 | LMNA (0.44) | CYP3A4TNKSPARP1PARP2CALCRL | |
| SCHEMBL22605829 | 0.84 | HSD11B1 (0.63) | CYP3A4TNKSPARP1PARP2CALCRL | |
| SCHEMBL22605698 | 0.84 | PLD2 (0.62) | CYP3A4TNKSPARP1PARP2CALCRL | |
| SCHEMBL29518452 | 0.84 | PLD2 (0.62) | CYP3A4TNKSPARP1PARP2CALCRL | |
| SCHEMBL22587763 | 0.82 | CYP3A4 (0.63) | CYP3A4TNKSPARP1PARP2CALCRL |
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 |