Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.48 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.46 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.46 |
| ▸ | ME2 | P23368 | 1/20 | 0.46 |
| ▸ | ME1 | P48163 | 1/20 | 0.46 |
| ▸ | ME3 | Q16798 | 1/20 | 0.46 |
| ▸ | LIPE | Q05469 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22605671 | 0.88 | HSD11B1 (0.48) | CTSSHRH3HSD11B1CACNA1GCACNA1H | |
| SCHEMBL22587922 | 0.85 | CACNA1G (0.51) | CTSSCYP3A4HRH3HSD11B1CACNA1G | |
| SCHEMBL22587798 | 0.82 | CACNA1G (0.44) | CYP3A4HRH3HSD11B1CACNA1GCACNA1H | |
| SCHEMBL22605684 | 0.82 | OPRL1 (0.47) | CTSSCYP3A4HRH3HSD11B1CACNA1G | |
| SCHEMBL30317157 | 0.80 | HSD11B1 (0.73) | CTSSCYP3A4TNKSPARP1PARP2 | |
| SCHEMBL22587888 | 0.80 | TNKS (0.49) | HRH3TNKSPARP1PARP2HSD11B1 | |
| SCHEMBL22594434 | 0.80 | HSD11B1 (0.73) | CTSSCYP3A4TNKSPARP1PARP2 | |
| SCHEMBL22605659 | 0.79 | LMNA (0.47) | CTSSHRH3TNKSPARP1PARP2 | |
| SCHEMBL22605543 | 0.79 | HSD11B1 (0.59) | CTSSHRH3TNKSPARP1PARP2 | |
| SCHEMBL22588034 | 0.78 | HSD11B1 (0.57) | CTSSHRH3HSD11B1ME2ME1 |
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 |