Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.36 |
| ▸ | MET | P08581 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.35 |
| ▸ | RET | P07949 | 2/20 | 0.35 |
| ▸ | PIM1 | P11309 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
| ▸ | GSK3A | P49840 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2851460 | 0.93 | ALDH1A1 (0.37) | ALDH1A1NPSR1TDP1PIK3CDPIK3CA | |
| SCHEMBL2853925 | 0.79 | PDGFRB (0.38) | ALDH1A1PDGFRBPDGFRASYKJAK2 | |
| SCHEMBL2853202 | 0.79 | SYK (0.39) | AURKBSYK | |
| SCHEMBL2853089 | 0.77 | GSTP1 (0.32) | — | |
| SCHEMBL2849017 | 0.72 | GSTP1 (0.42) | — | |
| SCHEMBL23501727 | 0.69 | DHFR (0.48) | MAP4K4LRRK2 | |
| SCHEMBL30345720 | 0.69 | DHFR (0.48) | MAP4K4LRRK2 | |
| SCHEMBL2858821 | 0.64 | ALDH1A1 (0.50) | ALDH1A1NPSR1TDP1PIK3CDPIK3CA | |
| SCHEMBL2851463 | 0.63 | THRB (0.42) | ALDH1A1NPSR1TDP1PIK3CDPIK3CA | |
| SCHEMBL2853200 | 0.63 | XPO1 (0.42) | ALDH1A1NPSR1TDP1GRM5GRIN2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1924558-B1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2010-01-13 | — | — | EP | claimed |
| EP-1924558-B1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2010-01-13 | — | — | EP | disclosed |