Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 2/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2849135 | 0.88 | CASP1 (0.56) | CASP1ALDH1A1DHODHLMNAATM | |
| SCHEMBL2853119 | 0.87 | CASP1 (0.47) | CASP1ALDH1A1DHODHLMNAATM | |
| SCHEMBL2850940 | 0.87 | CASP1 (0.43) | CASP1ALDH1A1GABRA1GABRG2GABRB3 | |
| SCHEMBL2853071 | 0.81 | CASP1 (0.55) | CASP1ALDH1A1LMNAATMKDM4E | |
| SCHEMBL2858064 | 0.79 | CASP1 (0.36) | CASP1ALDH1A1DHODHLMNAKDM4E | |
| SCHEMBL2853110 | 0.78 | CASP1 (0.44) | CASP1ALDH1A1MAPTCTSADGAT1 | |
| SCHEMBL15525179 | 0.77 | EGFR (0.45) | CASP1ALDH1A1ATMKDM4EMAPT | |
| SCHEMBL2851268 | 0.76 | CASP1 (0.58) | CASP1ALDH1A1DHODHLMNAATM | |
| SCHEMBL13500046 | 0.75 | CASP1 (0.39) | CASP1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL2849381 | 0.74 | CASP1 (0.39) | CASP1LMNAKDM4ECTSA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |