Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.44 |
| ▸ | LDLR | P01130 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.41 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.40 |
| ▸ | PLOD1 | Q02809 | 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 | |
|---|---|---|---|---|
| SCHEMBL17065074 | 0.82 | ALDH1A1 (0.56) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL23428914 | 0.78 | ALDH1A1 (0.49) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL10154214 | 0.75 | ALDH1A1 (0.63) | ALDH1A1PLOD2LDLRPLOD3PLOD1 | |
| SCHEMBL5378862 | 0.73 | CTNNB1 (0.52) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL27603597 | 0.72 | L3MBTL1 (0.61) | ALDH1A1GAAL3MBTL1 | |
| SCHEMBL18623188 | 0.71 | ALDH1A1 (0.46) | ALDH1A1GAALDLR | |
| SCHEMBL18604872 | 0.71 | ALDH1A1 (0.46) | ALDH1A1GAALDLR | |
| SCHEMBL5373716 | 0.71 | ALDH1A1 (0.46) | ALDH1A1GAAPLOD2LDLRPLOD3 | |
| SCHEMBL5373712 | 0.71 | ALDH1A1 (0.46) | ALDH1A1GAAPLOD2LDLRPLOD3 | |
| SCHEMBL8200213 | 0.68 | SLC6A2 (0.58) | ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |