Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 9/20 | 0.51 |
| ▸ | CHUK | O15111 | 8/20 | 0.51 |
| ▸ | CDK8 | P49336 | 2/20 | 0.43 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CD38 | P28907 | 1/20 | 0.37 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL27799442 | 0.85 | IKBKB (0.38) | IKBKBCHUKNPC1ACLY | |
| SCHEMBL27799457 | 0.80 | ERN1 (0.36) | IKBKBCHUK | |
| SCHEMBL27778467 | 0.80 | ERN1 (0.36) | IKBKBCHUKAXL | |
| SCHEMBL25350212 | 0.78 | AHR (0.39) | NPC1ACLYNR3C1PGRNR3C2 | |
| SCHEMBL27799452 | 0.76 | CYP2A6 (0.38) | NR3C1PGRNR3C2AR | |
| SCHEMBL28164437 | 0.74 | NR3C1 (0.56) | NPC1ALDH1A1NR3C1PGRNR3C2 | |
| SCHEMBL20232779 | 0.70 | IKBKB (0.55) | IKBKBCHUKCDK8AXLNPC1 | |
| SCHEMBL3796186 | 0.70 | IKBKB (0.77) | IKBKBCHUKNPC1CD38 | |
| SCHEMBL21218367 | 0.69 | ACLY (0.61) | IKBKBCHUKACLYGLO1PGR | |
| SCHEMBL21218371 | 0.68 | IKBKB (0.47) | IKBKBCHUKCDK8AXLNPC1 |
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 |