Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.53 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5497325 | 0.80 | HTR2A (0.43) | CFTRCHRNB2CHRNA7CHRNA4HTR2A | |
| SCHEMBL12233833 | 0.78 | HTR2A (0.67) | CFTRGPR84CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL9006903 | 0.78 | HTR1D (0.54) | CFTRGPR84CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL6846117 | 0.76 | GPR84 (0.73) | GPR84HTR2AHTR1AHTR2C | |
| SCHEMBL15912499 | 0.76 | CHRNB2 (0.64) | CFTRGPR84CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL5484715 | 0.76 | HTR2A (0.51) | CFTRGPR84HTR2AHTR1AHTR2C | |
| SCHEMBL21754102 | 0.76 | HTR2C (0.65) | HTR2AHTR1AHTR2CHTR2BMEN1 | |
| SCHEMBL398434 | 0.76 | HTR2A (0.51) | CFTRGPR84HTR2AHTR1AHTR2C | |
| SCHEMBL13715442 | 0.76 | GPR84 (0.44) | CFTRGPR84CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL3195765 | 0.76 | GPR84 (0.73) | GPR84HTR2AMTNR1AMTNR1B |
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 |