Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | C1S | P09871 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6921023 | 0.74 | CSNK2A2 (0.38) | ALDH1A1CSNK2A2KDRCSNK2BCSNK2A1 | |
| SCHEMBL6920646 | 0.72 | ALDH1A1 (0.40) | ALDH1A1CSNK2A2KDRCSNK2BCSNK2A1 | |
| SCHEMBL5839757 | 0.70 | KEAP1 (0.41) | ALDH1A1CSNK2A2KDRCSNK2BCSNK2A1 | |
| SCHEMBL6921024 | 0.69 | HPGD (0.39) | ALDH1A1CSNK2A2KDRCSNK2BCSNK2A1 | |
| SCHEMBL6923952 | 0.68 | KEAP1 (0.41) | ALDH1A1CSNK2A2KDRCSNK2BCSNK2A1 | |
| SCHEMBL7983624 | 0.67 | HPGD (0.34) | ALDH1A1CYP1A2CYP2C19CSNK2A2KDR | |
| SCHEMBL6925497 | 0.66 | KEAP1 (0.41) | ALDH1A1CSNK2A2KDRCSNK2BCSNK2A1 | |
| SCHEMBL6925163 | 0.66 | KEAP1 (0.47) | ALDH1A1CSNK2A2KDRCSNK2BCSNK2A1 | |
| SCHEMBL13738636 | 0.66 | KDM4E (0.42) | ALDH1A1CYP1A2CSNK2A2KDRCSNK2B | |
| SCHEMBL7252899 | 0.66 | GAA (0.33) | ALDH1A1KEAP1NFE2L2KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6291514-B1 | Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-09-18 | — | — | US | disclosed |