Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 4/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 7/20 | 0.44 |
| ▸ | REN | P00797 | 2/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 6/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 6/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 6/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 6/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 6/20 | 0.43 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7613504 | 0.91 | PSENEN (0.55) | CTSDPSENENRENCTSSCTSK | |
| SCHEMBL7613501 | 0.91 | PSENEN (0.55) | CTSDPSENENRENCTSSCTSK | |
| SCHEMBL10144106 | 0.89 | PSENEN (0.45) | CTSDPSENENRENPSEN1PSEN2 | |
| SCHEMBL21737914 | 0.88 | REN (0.47) | PSENENRENCTSSCTSKBACE1 | |
| SCHEMBL5176929 | 0.88 | CTSD (0.53) | CTSDPSENENRENCTSSCTSK | |
| SCHEMBL30910781 | 0.87 | BACE1 (0.49) | CTSDPSENENRENPSEN1PSEN2 | |
| SCHEMBL29484068 | 0.84 | PSENEN (0.47) | CTSDPSENENRENPSEN1PSEN2 | |
| SCHEMBL23845318 | 0.84 | CYP1A2 (0.45) | RENCTSSCTSKKLK5CA1 | |
| SCHEMBL19177189 | 0.84 | CYP1A2 (0.45) | RENCTSSCTSKKLK5CA1 | |
| SCHEMBL23080079 | 0.83 | PSENEN (0.48) | CTSDPSENENRENPSEN1PSEN2 |
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-2021027744-A1 | 3-HYDROXY-5-PREGNANE-20-ONE DERIVATIVE AND USE THEREOF | 南京诺瑞特医药科技有限公司 | 2021-02-18 | — | — | WO | disclosed |