Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.51 |
| ▸ | GBA1 | P04062 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5742915 | 0.91 | MEN1 (0.54) | CFTRGBA1MEN1KMT2AALDH1A1 | |
| SCHEMBL5741493 | 0.89 | CFTR (0.65) | CFTRGBA1KMT2AALDH1A1LMNA | |
| SCHEMBL4066459 | 0.89 | CFTR (0.67) | CFTRGBA1KMT2AALDH1A1LMNA | |
| SCHEMBL5742134 | 0.84 | GBA1 (0.46) | CFTRGBA1MEN1KMT2AALDH1A1 | |
| SCHEMBL5742703 | 0.84 | CFTR (0.58) | CFTRGBA1KMT2AALDH1A1LMNA | |
| SCHEMBL5791138 | 0.83 | CFTR (0.57) | CFTRGBA1KMT2AALDH1A1LMNA | |
| SCHEMBL3823433 | 0.80 | CFTR (0.67) | CFTRGBA1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5739907 | 0.80 | CFTR (0.54) | CFTRGBA1KMT2AALDH1A1LMNA | |
| SCHEMBL3821514 | 0.79 | CFTR (0.69) | CFTRGBA1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5742004 | 0.79 | CFTR (0.53) | CFTRGBA1ALDH1A1LMNASMN1; SMN2 |
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 |