Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28526410 | 0.89 | ITGA4 (0.47) | CTSSCTSKKMT2AMEN1ITGA4 | |
| SCHEMBL24404141 | 0.85 | ALDH1A1 (0.44) | CTSSCTSKGAAKMT2AABCC4 | |
| SCHEMBL20583296 | 0.85 | ALDH1A1 (0.44) | CTSSCTSKGAAKMT2AABCC4 | |
| SCHEMBL28538183 | 0.83 | ALDH1A1 (0.42) | CTSSCTSKGAAKMT2AABCC4 | |
| SCHEMBL20583668 | 0.80 | GAA (0.41) | CTSSCTSKGAAKMT2AABCC4 | |
| SCHEMBL20583417 | 0.77 | TSHR (0.43) | CTSSCTSKGAAKMT2AABCC4 | |
| SCHEMBL24404136 | 0.77 | TSHR (0.43) | CTSSCTSKGAAKMT2AABCC4 | |
| SCHEMBL20583506 | 0.76 | POLB (0.42) | GAAABCC4LMNATSHRPTGS1 | |
| SCHEMBL24404076 | 0.76 | POLB (0.42) | GAAABCC4LMNATSHRPTGS1 | |
| SCHEMBL24404144 | 0.76 | ALDH1A1 (0.49) | GAAKMT2AABCC4LMNATSHR |
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 |