Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CALCRL | Q16602 | 3/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22605594 | 0.93 | HSD11B1 (0.55) | HSD11B1CYP3A4CALCRLTNKSPARP1 | |
| SCHEMBL30317157 | 0.86 | HSD11B1 (0.73) | HSD11B1CYP3A4TNKSPARP1PARP2 | |
| SCHEMBL22594434 | 0.86 | HSD11B1 (0.73) | HSD11B1CYP3A4TNKSPARP1PARP2 | |
| SCHEMBL22588037 | 0.86 | HSD11B1 (0.58) | HSD11B1CALCRLTNKSPARP1PARP2 | |
| SCHEMBL22588006 | 0.84 | HSD11B1 (0.58) | HSD11B1CALCRLTNKSPARP1PARP2 | |
| SCHEMBL22605651 | 0.84 | HSD11B1 (0.56) | HSD11B1CALCRLTNKSPARP1PARP2 | |
| SCHEMBL22605776 | 0.83 | CALCRL (0.67) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL22605591 | 0.82 | HSD11B1 (0.53) | HSD11B1CYP3A4CALCRLTNKSPARP1 | |
| SCHEMBL22605463 | 0.82 | HSD11B1 (0.56) | HSD11B1CALCRLTNKSPARP1PARP2 | |
| SCHEMBL22587939 | 0.81 | HSD11B1 (0.55) | HSD11B1CALCRLTNKSPARP1PARP2 |
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 |