Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.46 |
| ▸ | GBA1 | P04062 | 6/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3816459 | 0.85 | CFTR (0.52) | CFTRGBA1L3MBTL1PDE5AMAPT | |
| SCHEMBL3824265 | 0.83 | CFTR (0.51) | CFTRGBA1L3MBTL1PDE5AMAPT | |
| SCHEMBL6341359 | 0.83 | CFTR (0.59) | CFTRGBA1PDE5AMAPTPKM | |
| SCHEMBL3816463 | 0.79 | CFTR (0.53) | CFTRGBA1L3MBTL1PDE5AMAPT | |
| SCHEMBL3824263 | 0.78 | CFTR (0.51) | CFTRGBA1L3MBTL1PDE5AMAPT | |
| SCHEMBL13724387 | 0.77 | CFTR (0.67) | CFTRGBA1L3MBTL1MAPTPKM | |
| SCHEMBL3823336 | 0.77 | CFTR (0.53) | CFTRGBA1L3MBTL1MAPTPKM | |
| SCHEMBL5807199 | 0.77 | CFTR (0.53) | CFTRGBA1L3MBTL1MAPTPKM | |
| SCHEMBL3822709 | 0.76 | CFTR (0.59) | CFTRGBA1L3MBTL1MAPTHTT | |
| SCHEMBL5804966 | 0.76 | CFTR (0.51) | CFTRGBA1L3MBTL1PDE5AMAPT |
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-1646615-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2006-04-19 | — | — | EP | disclosed |
| WO-2004111014-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-12-23 | — | — | WO | disclosed |