Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25350212 | 0.81 | AHR (0.39) | CYP2A6AHRNR3C1PGRNR3C2 | |
| SCHEMBL28783302 | 0.76 | IKBKB (0.51) | NR3C1PGRNR3C2AR | |
| SCHEMBL25593878 | 0.75 | PTPRC (0.39) | CYP2A6AHRNR3C1PGRNR3C2 | |
| SCHEMBL31607389 | 0.74 | ROCK2 (0.46) | CYP2A6AHRNR4A2NR3C1PGR | |
| SCHEMBL18661406 | 0.74 | ROCK2 (0.46) | CYP2A6AHRNR4A2NR3C1PGR | |
| SCHEMBL1557812 | 0.74 | NR3C1 (0.60) | CYP2A6AHRNR4A2NR3C1PGR | |
| SCHEMBL27799442 | 0.74 | IKBKB (0.38) | AHRESR1 | |
| SCHEMBL30993119 | 0.74 | CYP2A6 (0.41) | CYP2A6AHRNR4A2PIM3 | |
| SCHEMBL28164437 | 0.74 | NR3C1 (0.56) | AHRNR3C1PGRNR3C2AR | |
| SCHEMBL27778467 | 0.72 | ERN1 (0.36) | CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101677547-A | Indole carboxamides as the IKK2 inhibitor | SMITHKLINE BEECHAM CORP | 2010-03-24 | — | — | CN | disclosed |