Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.39 |
| ▸ | CHUK | O15111 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TEC | P42680 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL790083 | 0.83 | PTGS2 (0.51) | MEN1NPC1RAB9AKMT2AIKBKB | |
| SCHEMBL791121 | 0.80 | PTGDR2 (0.46) | MEN1NPC1RAB9AKMT2AMAP4K4 | |
| SCHEMBL807329 | 0.71 | SCN10A (0.48) | MEN1NPC1RAB9AKMT2AMAP4K4 | |
| SCHEMBL1645091 | 0.70 | CA1 (0.60) | MEN1KMT2AKIF11CA1CA2 | |
| SCHEMBL807328 | 0.68 | KDM4E (0.53) | MEN1NPC1RAB9AKMT2APDE3B | |
| SCHEMBL789573 | 0.68 | CDC7 (0.40) | MEN1KMT2AIKBKBCHUKMAP4K4 | |
| SCHEMBL807047 | 0.68 | LRRK2 (0.44) | BACE1MAP4K4PDE3BPDE3A | |
| SCHEMBL807327 | 0.68 | HPGD (0.53) | NPC1RAB9ACNR1 | |
| SCHEMBL807332 | 0.68 | DHFR (0.37) | MEN1NPC1RAB9AKMT2ABACE1 | |
| SCHEMBL790542 | 0.68 | SRC (0.49) | MEN1NPC1RAB9AKMT2A |
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-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |