Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 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 | |
|---|---|---|---|---|
| SCHEMBL11407322 | 0.74 | PDE4A (0.37) | SMN1; SMN2GAATSHRKCNH2L3MBTL1 | |
| SCHEMBL1646450 | 0.72 | KCNH2 (0.44) | GAAKCNH2MAPK1ADORA3 | |
| SCHEMBL27562946 | 0.70 | CYP1A2 (0.46) | RAB9ANPC1SMN1; SMN2GAAKCNH2 | |
| SCHEMBL27735764 | 0.68 | AVPR1A (0.44) | TSHRAGTR1AGTR2ALDH1A1MAPT | |
| SCHEMBL5283312 | 0.65 | CETP (0.49) | RAB9ANPC1SMN1; SMN2GAATSHR | |
| SCHEMBL11017732 | 0.65 | CETP (0.49) | RAB9ANPC1SMN1; SMN2GAATSHR | |
| SCHEMBL28569900 | 0.65 | TLR8 (0.38) | TSHRKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27747921 | 0.65 | CETP (0.49) | RAB9ANPC1SMN1; SMN2GAATSHR | |
| SCHEMBL11809248 | 0.65 | TYR (0.41) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL30645662 | 0.65 | TYR (0.41) | RAB9ANPC1NFKB1NFKB2RELA |
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-2011050003-A2 | AIR-STABLE, BLUE LIGHT EMITTING CHEMICAL COMPOUNDS | UNIVERSITY OF MISSISSIPPI (US) | 2011-04-28 | — | — | WO | disclosed |