Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22467355 | 1.00 | ALDH1A1 (0.38) | ALDH1A1MAPTHTTNPSR1TP53BP1 | |
| SCHEMBL28412974 | 1.00 | ALDH1A1 (0.38) | ALDH1A1MAPTHTTNPSR1TP53BP1 | |
| SCHEMBL22467352 | 1.00 | ALDH1A1 (0.38) | ALDH1A1MAPTHTTNPSR1TP53BP1 | |
| SCHEMBL22467357 | 1.00 | ALDH1A1 (0.38) | ALDH1A1MAPTHTTNPSR1TP53BP1 | |
| SCHEMBL28412977 | 1.00 | ALDH1A1 (0.38) | ALDH1A1MAPTHTTNPSR1TP53BP1 | |
| SCHEMBL21545089 | 0.87 | SLC6A2 (0.32) | ALDH1A1MAPTHTTNPSR1SLC6A2 | |
| SCHEMBL21455587 | 0.87 | SLC6A2 (0.32) | ALDH1A1MAPTHTTNPSR1SLC6A2 | |
| SCHEMBL21545087 | 0.87 | SLC6A2 (0.32) | ALDH1A1MAPTHTTNPSR1SLC6A2 | |
| SCHEMBL21545088 | 0.87 | SLC6A2 (0.32) | ALDH1A1MAPTHTTNPSR1SLC6A2 | |
| SCHEMBL21545092 | 0.87 | SLC6A2 (0.32) | ALDH1A1MAPTHTTNPSR1SLC6A2 |
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-108203433-B | ROCK inhibitor and application thereof | 成都先导药物开发股份有限公司 | 2020-07-03 | — | — | CN | disclosed |