Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL396507 | 1.00 | IMPDH2 (0.46) | IMPDH2HTR2AHTR2CHTR2BGPR84 | |
| SCHEMBL15724409 | 0.85 | HTR2A (0.45) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL399231 | 0.83 | HTR2A (0.47) | IMPDH2HTR2AHTR2CHTR2BGPR84 | |
| SCHEMBL888682 | 0.79 | KIF11 (0.49) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL12824182 | 0.79 | HTR2A (0.49) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL28043663 | 0.78 | IMPDH2 (0.38) | IMPDH2HTR2AHTR2CHTR2BGPR84 | |
| SCHEMBL23102845 | 0.78 | HTR2C (0.47) | HTR2AHTR2CHTR2BGPR84FFAR1 | |
| SCHEMBL12950449 | 0.78 | GPR84 (0.53) | HTR2AHTR2CGPR84 | |
| SCHEMBL22156313 | 0.78 | GUSB (0.52) | IMPDH2GPR84FFAR1CLK1CDK5 | |
| SCHEMBL3180130 | 0.78 | GPR84 (0.53) | HTR2AGPR84FFAR1 |
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 |