Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK1 | P53667 | 1/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.46 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.44 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.44 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | SCD | O00767 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28014843 | 0.88 | KDR (0.62) | KDRGSTO1FFAR2CSNK2A2CSNK2A1 | |
| SCHEMBL25319444 | 0.86 | ABL1 (0.55) | KDRALDH1A1GSTO1FFAR2CSNK2A2 | |
| SCHEMBL17580713 | 0.84 | LIMK1 (0.40) | LIMK1CYP17A1CSNK2A2CSNK2A1CCNE1 | |
| SCHEMBL28518148 | 0.83 | LIMK1 (0.51) | LIMK1KDRCCNE1CDK2LCK | |
| SCHEMBL3176327 | 0.82 | LIMK1 (0.52) | LIMK1KDRKDM4EGSTO1FFAR2 | |
| SCHEMBL27930246 | 0.82 | XDH (0.45) | KDRALDH1A1CSNK2A2CSNK2A1SMN1; SMN2 | |
| SCHEMBL16513227 | 0.82 | LIMK1 (0.46) | LIMK1CYP17A1KDM4EHPGDCCNE1 | |
| SCHEMBL22684973 | 0.82 | CSNK2A2 (0.47) | CYP17A1KDRKDM4EALDH1A1HPGD | |
| SCHEMBL22685027 | 0.81 | CSNK2A2 (0.49) | KDRGSTO1FFAR2CSNK2A2CSNK2A1 | |
| SCHEMBL22684986 | 0.81 | CSNK2A2 (0.47) | KDRGSTO1FFAR2CSNK2A2CSNK2A1 |
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-108699035-A | Noval chemical compound | 特殊治疗有限公司 | 2018-10-23 | — | — | CN | disclosed |