Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 3/20 | 0.53 |
| ▸ | PARP1 | P09874 | 3/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | LIPE | Q05469 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22605662 | 0.93 | TNKS (0.53) | TNKSPARP1PARP2HSD11B1OPRM1 | |
| SCHEMBL22588037 | 0.90 | HSD11B1 (0.58) | TNKSPARP1PARP2HSD11B1OPRM1 | |
| SCHEMBL22605651 | 0.87 | HSD11B1 (0.56) | TNKSPARP1PARP2HSD11B1OPRM1 | |
| SCHEMBL30317157 | 0.84 | HSD11B1 (0.73) | TNKSPARP1PARP2HSD11B1OPRM1 | |
| SCHEMBL22594434 | 0.84 | HSD11B1 (0.73) | TNKSPARP1PARP2HSD11B1OPRM1 | |
| SCHEMBL22588006 | 0.84 | HSD11B1 (0.58) | TNKSPARP1PARP2HSD11B1OPRM1 | |
| SCHEMBL22605619 | 0.84 | TNKS (0.53) | TNKSPARP1PARP2HSD11B1OPRM1 | |
| SCHEMBL22587939 | 0.83 | HSD11B1 (0.55) | TNKSPARP1PARP2HSD11B1OPRM1 | |
| SCHEMBL22605511 | 0.82 | OPRM1 (0.71) | HSD11B1OPRM1OPRK1CALCRLSMN1; SMN2 | |
| SCHEMBL29518448 | 0.82 | OPRM1 (0.71) | HSD11B1OPRM1OPRK1CALCRLSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 健艾仕生物医药有限公司 | 2020-10-30 | — | — | CN | disclosed |
| 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 |