Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 6/20 | 0.41 |
| ▸ | ULK1 | O75385 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL395515 | 1.00 | GPR84 (0.47) | GPR84KIF11AHRULK1CTNNB1 | |
| SCHEMBL28777719 | 0.84 | GPR84 (0.54) | GPR84KIF11AHRCTNNB1WNT3A | |
| SCHEMBL29358322 | 0.81 | GPR84 (0.42) | GPR84AHRCSNK2A1GFERNR4A2 | |
| SCHEMBL396029 | 0.81 | GPR84 (0.42) | GPR84AHRCSNK2A1GFERNR4A2 | |
| SCHEMBL5236426 | 0.79 | GPR84 (0.64) | GPR84KIF11AHRULK1CTNNB1 | |
| SCHEMBL2272066 | 0.78 | CSNK2A1 (0.55) | GPR84KIF11AHRCTNNB1WNT3A | |
| SCHEMBL12288155 | 0.78 | GPR84 (0.47) | GPR84KIF11AHRULK1CTNNB1 | |
| SCHEMBL3131647 | 0.78 | GPR84 (0.54) | GPR84AHRCSNK2A1GFERNR4A2 | |
| SCHEMBL31481612 | 0.78 | GPR84 (0.54) | GPR84AHRCSNK2A1GFERNR4A2 | |
| SCHEMBL14403446 | 0.77 | GPR84 (0.43) | GPR84KIF11AHRULK1CTNNB1 |
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-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |