Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 3/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5199432 | 0.86 | KIF11 (0.50) | KIF11FFAR1FFAR4TACR1BACE1 | |
| SCHEMBL2095522 | 0.83 | KIF11 (0.47) | KIF11FFAR1FFAR4TACR1BACE1 | |
| SCHEMBL5198493 | 0.80 | PDK2 (0.53) | KIF11FFAR1FFAR4TACR1BACE1 | |
| SCHEMBL11994127 | 0.80 | ADORA3 (0.45) | KIF11FFAR1FFAR4TACR1BACE1 | |
| SCHEMBL27682132 | 0.80 | TACR1 (0.44) | KIF11TACR1BACE1HTR7 | |
| SCHEMBL4588820 | 0.79 | DPP4 (0.56) | FFAR1FFAR4ALDH1A1HSD17B10HTR7 | |
| SCHEMBL13675366 | 0.79 | KIF11 (0.50) | KIF11FFAR1FFAR4TACR1BACE1 | |
| SCHEMBL5511135 | 0.79 | KIF11 (0.50) | KIF11FFAR1FFAR4TACR1BACE1 | |
| SCHEMBL9295043 | 0.79 | DPP4 (0.62) | KIF11FFAR1FFAR4TACR1BACE1 | |
| SCHEMBL2096005 | 0.79 | KIF11 (0.50) | KIF11FFAR1FFAR4TACR1BACE1 |
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-101087764-A | Substituted 5-oxo pyrazoles and [1,2,4]triazoles as antiviral agents | SCHERING CORP (US) | 2007-12-12 | — | — | CN | disclosed |