Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.56 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.44 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | GUSB | P08236 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7122837 | 0.72 | PSMB8 (0.51) | APPPSMB8NPC1AHRLRRK2 | |
| SCHEMBL30439233 | 0.72 | PSMB8 (0.51) | APPPSMB8NPC1AHRLRRK2 | |
| SCHEMBL5850255 | 0.72 | NPC1 (0.79) | PSMB8NPC1AHRMAP3K11BRD4 | |
| SCHEMBL1507829 | 0.71 | APP (1.00) | APPPSMB8NPC1AHR | |
| SCHEMBL18284268 | 0.70 | BRD4 (0.50) | APPPSMB8AHRLRRK2S1PR1 | |
| SCHEMBL12615888 | 0.70 | NOTUM (0.61) | APPPSMB8 | |
| SCHEMBL856313 | 0.70 | AHR (0.70) | APPNPC1AHRMAP3K11GUSB | |
| SCHEMBL10187349 | 0.69 | MAP3K11 (0.52) | NPC1AHRLRRK2MAP3K11BRD4 | |
| SCHEMBL12680497 | 0.68 | NPC1 (0.56) | NPC1AHRLRRK2MAP3K11FYN | |
| SCHEMBL14365330 | 0.68 | MAP3K11 (0.67) | NPC1LRRK2MAP3K11FYNDYRK3 |
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-2009155017-A2 | NOVEL SUBSTITUTED AZABENZOXAZOLES | MERCK & CO., INC. (US) | 2009-12-23 | — | — | WO | disclosed |