Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL5504782 | 0.82 | NLRP3 (0.41) | KCNH2NLRP3APPMAP4K4 | |
| SCHEMBL4524099 | 0.79 | NLRP3 (0.43) | NLRP3APPMAP4K4 | |
| SCHEMBL4524773 | 0.76 | NLRP3 (0.46) | KCNH2NLRP3APP | |
| SCHEMBL4528798 | 0.76 | RAD52 (0.45) | NLRP3APPCYP2D6MAP4K4 | |
| Trifluoroacetic Acid SCHEMBL4519544 | 0.74 | APP (0.40) | NLRP3APPTLR7 | |
| SCHEMBL4519548 | 0.71 | NLRP3 (0.37) | NLRP3APPMAP4K4 | |
| SCHEMBL13888562 | 0.71 | HRH4 (0.47) | KCNH2NLRP3APP | |
| SCHEMBL4517519 | 0.70 | PTPN1 (0.51) | KCNH2NLRP3APPMAP4K4 | |
| SCHEMBL4526172 | 0.70 | PTPN1 (0.59) | NLRP3APPCYP2D6MAP4K4 | |
| SCHEMBL4523613 | 0.67 | KCNH2 (0.39) | KCNH2NLRP3CYP2D6DRD1HTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1812409-A1 | AMINOQUINAZOLINES COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2007-08-01 | — | — | EP | claimed |
| WO-2006050843-A1 | AMINOQUINAZOLINES COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-18 | — | — | WO | claimed |