Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.51 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 2/20 | 0.45 |
| ▸ | CHUK | O15111 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL791121 | 0.85 | PTGDR2 (0.46) | PTGS2PTGS1CHRNA7MEN1NPC1 | |
| SCHEMBL807030 | 0.83 | MEN1 (0.39) | CA1CA2CA5ACA9IKBKB | |
| SCHEMBL29746212 | 0.77 | IKBKB (0.49) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL26613513 | 0.77 | IKBKB (0.49) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL807329 | 0.74 | SCN10A (0.48) | MEN1NPC1RAB9AKMT2A | |
| SCHEMBL807332 | 0.73 | DHFR (0.37) | CA1CA2CA9CA13MAOB | |
| SCHEMBL807328 | 0.71 | KDM4E (0.53) | MEN1NPC1RAB9AKMT2A | |
| SCHEMBL789573 | 0.71 | CDC7 (0.40) | IKBKBCHUKMEN1KMT2A | |
| SCHEMBL807047 | 0.70 | LRRK2 (0.44) | — | |
| SCHEMBL807327 | 0.70 | HPGD (0.53) | NPC1RAB9A |
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 |