Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.36 |
| ▸ | IKBKB | O14920 | 5/20 | 0.33 |
| ▸ | CHUK | O15111 | 5/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.30 |
| ▸ | AXL | P30530 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28783302 | 0.80 | IKBKB (0.51) | IKBKBCHUKAXL | |
| SCHEMBL27799442 | 0.78 | IKBKB (0.38) | IKBKBCHUK | |
| SCHEMBL27799457 | 0.76 | ERN1 (0.36) | ERN1IKBKBCHUKP2RY14 | |
| SCHEMBL25350212 | 0.73 | AHR (0.39) | CYP2A6BACE1 | |
| SCHEMBL27799452 | 0.72 | CYP2A6 (0.38) | CYP2A6 | |
| SCHEMBL27689999 | 0.71 | IKBKB (0.66) | IKBKBCHUKAXL | |
| SCHEMBL28164437 | 0.66 | NR3C1 (0.56) | BACE1 | |
| SCHEMBL2461441 | 0.65 | NPC1 (0.58) | CYP2A6BACE1KCNH2 | |
| SCHEMBL857007 | 0.65 | PIK3CD (0.64) | PDGFRBPDGFRACYP2A6AXL | |
| SCHEMBL28285168 | 0.63 | ERN1 (0.37) | ERN1CYP2A6CYP2E1CYP2B6KCNH2 |
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 |