Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5741963 | 0.91 | GBA1 (0.56) | GBA1ALDH1A1KMT2AHSD11B1LMNA | |
| SCHEMBL5789177 | 0.90 | GBA1 (0.59) | GBA1MAPTALDH1A1KDM4EKMT2A | |
| SCHEMBL5743384 | 0.90 | GBA1 (0.63) | GBA1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL5742174 | 0.89 | GBA1 (0.62) | GBA1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL5742978 | 0.89 | GBA1 (0.54) | GBA1ALDH1A1KDM4EKMT2AHSD11B1 | |
| SCHEMBL5743076 | 0.87 | GBA1 (0.51) | GBA1ALDH1A1KDM4EKMT2AHSD11B1 | |
| SCHEMBL5740458 | 0.86 | GBA1 (0.60) | GBA1ALDH1A1KMT2AMEN1HSD11B1 | |
| SCHEMBL5743497 | 0.85 | GBA1 (0.57) | GBA1ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL5741175 | 0.85 | GBA1 (0.64) | GBA1MAPTALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL5740505 | 0.85 | GBA1 (0.56) | GBA1ALDH1A1KMT2AHSD11B1LMNA |
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 |