Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | ALPG | P10696 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | PLAT | P00750 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21393149 | 0.89 | NOTUM (0.51) | ROCK1SRD5A2MRGPRX4SGMS2MAPT | |
| SCHEMBL20905114 | 0.85 | ROCK1 (0.46) | ROCK1SRD5A2MRGPRX4SGMS2MAPT | |
| SCHEMBL6384688 | 0.79 | MCL1 (0.51) | ROCK1SRD5A2HTR6BCL2MCL1 | |
| SCHEMBL4328875 | 0.78 | HTR6 (0.52) | ROCK1SRD5A2MRGPRX4SGMS2MAPT | |
| SCHEMBL769005 | 0.78 | RHEB (0.55) | ROCK1SRD5A2MAPTMAPK1TDP1 | |
| SCHEMBL6383613 | 0.78 | ROCK1 (0.46) | ROCK1SRD5A2MRGPRX4SGMS2MAPT | |
| SCHEMBL16632521 | 0.77 | TRPV3 (0.41) | ROCK1MRGPRX4MAPTMAPK1TDP1 | |
| SCHEMBL29992724 | 0.77 | HTR6 (0.52) | HTR6ALDH1A1 | |
| SCHEMBL15018734 | 0.77 | HTR6 (0.52) | HTR6ALDH1A1 | |
| SCHEMBL27587757 | 0.77 | MCL1 (0.54) | ROCK1HTR6BCL2MCL1PTGER1 |
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-110143911-B | Preparation method of N- (indole-N-formyl) -alpha-amino amide derivative | 浙江大学 | 2021-12-17 | — | — | CN | disclosed |