Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | JUN | P05412 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CHAT | P28329 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL14401515 | 0.93 | CYP1A1 (0.42) | CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1 | |
| SCHEMBL19649207 | 0.86 | BACE1 (0.43) | CYP1A1CYP1B1CYP1A2NFE2L2CHAT | |
| SCHEMBL14401526 | 0.84 | PSMB11 (0.40) | CYP1A1CYP1B1CYP1A2CYP19A1KDM4E | |
| SCHEMBL18559995 | 0.82 | BACE1 (0.40) | CYP19A1CHATMAPTBACE1 | |
| SCHEMBL14401508 | 0.81 | CYP1A1 (0.58) | CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1 | |
| SCHEMBL13694972 | 0.79 | APP (0.47) | PDE4APDE4BPDE4CPDE4DSMN1; SMN2 | |
| SCHEMBL16070280 | 0.77 | APP (0.32) | — | |
| SCHEMBL12451468 | 0.76 | KDM4A (0.43) | CYP1A2TLR9MAPTSMN1; SMN2LMNA | |
| SCHEMBL13926450 | 0.75 | MEN1 (0.40) | CHATMAPTKDM4ELMNAATM | |
| SCHEMBL21005628 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007110540-A2 | DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING AN ALKOXY/HYDROXY GROUPING, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT | L'OREAL (FR) | 2007-10-04 | — | — | WO | disclosed |