Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | F10 | P00742 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | F2 | P00734 | 2/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | ACE | P12821 | 2/20 | 0.42 |
| ▸ | MME | P08473 | 1/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28540413 | 0.89 | CTSS (0.42) | ITGA4ITGB7CTSSCTSKF10 | |
| SCHEMBL11382563 | 0.85 | MEN1 (0.53) | ITGA4ITGB7CTSSCTSKMEN1 | |
| SCHEMBL24404141 | 0.84 | ALDH1A1 (0.44) | ITGA4ITGB7CTSSCTSKMEN1 | |
| SCHEMBL20583296 | 0.84 | ALDH1A1 (0.44) | ITGA4ITGB7CTSSCTSKMEN1 | |
| SCHEMBL28538183 | 0.82 | ALDH1A1 (0.42) | ITGA4ITGB7CTSSCTSKMEN1 | |
| SCHEMBL7415317 | 0.80 | CTSS (0.48) | ITGA4ITGB7CTSSCTSKF10 | |
| SCHEMBL7415313 | 0.80 | CTSS (0.48) | ITGA4ITGB7CTSSCTSKF10 | |
| SCHEMBL17871186 | 0.80 | ITGA4 (0.46) | ITGA4ITGB7CTSSCTSKMEN1 | |
| SCHEMBL20583506 | 0.78 | POLB (0.42) | POLB | |
| SCHEMBL24404076 | 0.78 | POLB (0.42) | POLB |
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-106977415-B | Intermediate of shakubiqu and preparation method thereof | 广东东阳光药业有限公司 | 2021-03-26 | — | — | CN | disclosed |