Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5742174 | 0.88 | GBA1 (0.62) | GBA1ALDH1A1POLBLMNASMN1; SMN2 | |
| SCHEMBL5743384 | 0.87 | GBA1 (0.63) | GBA1ALDH1A1POLBLMNASMN1; SMN2 | |
| SCHEMBL5742004 | 0.83 | CFTR (0.53) | GBA1ALDH1A1POLBLMNASMN1; SMN2 | |
| SCHEMBL3821547 | 0.80 | CFTR (0.57) | GBA1ALDH1A1POLBHTTPKM | |
| SCHEMBL5741175 | 0.80 | GBA1 (0.64) | GBA1ALDH1A1LMNASMN1; SMN2PKM | |
| SCHEMBL5740458 | 0.80 | GBA1 (0.60) | GBA1ALDH1A1LMNAPKMKMT2A | |
| SCHEMBL3819095 | 0.79 | GBA1 (0.64) | GBA1ALDH1A1POLBLMNASMN1; SMN2 | |
| SCHEMBL5789177 | 0.79 | GBA1 (0.59) | GBA1ALDH1A1LMNAPKMKMT2A | |
| SCHEMBL5742141 | 0.78 | ALDH1A1 (0.51) | GBA1ALDH1A1POLBLMNASMN1; SMN2 | |
| SCHEMBL5739816 | 0.78 | HTT (0.49) | ALDH1A1POLBLMNASMN1; SMN2HTT |
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 |