Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.44 |
| ▸ | CHUK | O15111 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | GHSR | Q92847 | 2/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31438285 | 0.74 | AHR (0.50) | IKBKBCHUKNPC1AXLCDK8 | |
| SCHEMBL7088348 | 0.72 | NPC1 (0.49) | IKBKBCHUKNPC1NOTUMAXL | |
| SCHEMBL18131090 | 0.72 | MAPT (0.55) | IKBKBCHUKNPC1NOTUMAXL | |
| SCHEMBL20427282 | 0.71 | IKBKB (0.37) | IKBKBCHUKNPC1AXLCDK8 | |
| SCHEMBL28291439 | 0.70 | BRD4 (0.41) | IKBKBCHUKNPC1NOTUMAXL | |
| SCHEMBL20426904 | 0.70 | NPC1 (0.35) | IKBKBCHUKNPC1AXLCDK8 | |
| SCHEMBL18260237 | 0.67 | DNMT1 (0.46) | NPC1 | |
| SCHEMBL594405 | 0.67 | AHR (0.50) | IKBKBCHUKNPC1ACLYAHR | |
| SCHEMBL9825477 | 0.67 | IKBKB (0.51) | IKBKBCHUKNPC1NOTUMAXL | |
| SCHEMBL20232779 | 0.67 | IKBKB (0.55) | IKBKBCHUKNPC1NOTUMAXL |
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 |
|---|---|---|---|---|---|---|---|
| EP-3888147-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | Merck Patent GmbH (DE) | 2021-10-06 | — | — | EP | disclosed |