Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | FLT3 | P36888 | 2/20 | 0.39 |
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29436275 | 0.99 | KDR (0.44) | KDRAURKBAURKAFLT3DHFR | |
| SCHEMBL1222450 | 0.75 | AURKA (0.51) | KDRAURKBAURKAFLT3DHFR | |
| SCHEMBL1038450 | 0.72 | KDR (0.48) | KDRAURKBAURKAFLT3DHFR | |
| SCHEMBL1039755 | 0.72 | MEN1 (0.50) | KDRAURKBAURKAFLT3DHFR | |
| SCHEMBL1220913 | 0.70 | KDR (0.46) | KDRAURKBAURKAFLT3MAPT | |
| SCHEMBL13955883 | 0.66 | IGF1R (0.59) | KDRAURKBAURKAFLT3RAD52 | |
| SCHEMBL29430427 | 0.66 | KDR (0.70) | KDRAURKBAURKADHFRIGF1R | |
| SCHEMBL4473977 | 0.66 | KDR (0.70) | KDRAURKBAURKADHFRIGF1R | |
| SCHEMBL1172780 | 0.63 | AURKA (0.47) | KDRAURKBAURKAFLT3MAPT | |
| SCHEMBL17394819 | 0.61 | POLB (0.56) | KDRAURKBAURKAFLT3MAPT |
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-114286679-A | Methods of blocking or ameliorating cytokine release syndrome | 里格尔药品股份有限公司 | 2022-04-05 | — | — | CN | disclosed |