Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | KDM5A | P29375 | 3/20 | 0.47 |
| ▸ | KDM5B | Q9UGL1 | 3/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 6/20 | 0.34 |
| ▸ | CPB1 | P15086 | 3/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5904472 | 0.85 | LTA4H (0.44) | LTA4HKDM5AKDM5BCPB2CPB1 | |
| SCHEMBL1715132 | 0.85 | CYP2E1 (0.45) | LTA4HKDM5AKDM5BADORA2ACPB2 | |
| SCHEMBL3671302 | 0.81 | LTA4H (0.49) | LTA4HKDM5AKDM5B | |
| SCHEMBL27575444 | 0.77 | LTA4H (0.44) | LTA4H | |
| SCHEMBL29910308 | 0.76 | LTA4H (0.51) | LTA4HKDM5AKDM5BCPB2CPB1 | |
| SCHEMBL28653016 | 0.75 | LTA4H (0.44) | LTA4HKDM5AKDM5BKDM2BKDM4C | |
| SCHEMBL145693 | 0.74 | CYP2C9 (0.39) | LTA4HKDM5AKDM5BADORA2AADORA1 | |
| SCHEMBL325139 | 0.70 | LTA4H (0.59) | LTA4HKDM5AKDM5BCYP2E1CYP3A4 | |
| SCHEMBL7990801 | 0.69 | CYP2E1 (0.53) | KDM5AKDM5BCYP2E1CYP3A4CYP2A6 | |
| SCHEMBL24925524 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4470840-A | WITH SOLVENT, COMPOUNDS 2A,2B,3, AND 4, AND PLANT GROWTH REGULATOR | BIOCHEMICAL RESEARCH CORPORATION (US) | 1984-09-11 | — | — | US | disclosed |
| US-4455162-A | POLAR SOLVENTS, METAL SALTS | BIOCHEMICAL RESEARCH CORPORATION (US) | 1984-06-19 | — | — | US | disclosed |