Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PANK3 | Q9H999 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NEK2 | P51955 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4608417 | 0.72 | LMNA (0.34) | PANK3KDM4ECYP2C19LMNAHTT | |
| SCHEMBL3531018 | 0.71 | PANK3 (0.49) | PANK3KDM4ECYP2C19LMNAHSD17B10 | |
| SCHEMBL12289389 | 0.67 | CYP3A4 (0.50) | PANK3KDM4ECYP2C19LMNAHSD17B10 | |
| SCHEMBL3783886 | 0.65 | RORC (0.40) | KDM4ENEK2ALDH1A1MAPK1KMT2A | |
| SCHEMBL18166973 | 0.64 | PANK3 (0.46) | PANK3KDM4ECYP2C19LMNAHTT | |
| SCHEMBL1976029 | 0.63 | KDM4E (0.68) | KDM4ECYP2C19LMNAHTTHSD17B10 | |
| SCHEMBL4031515 | 0.63 | KDM4E (0.59) | KDM4ECYP2C19LMNAHSD17B10HPGD | |
| SCHEMBL27717820 | 0.63 | DYRK1A (0.51) | MMP2ALDH1A1 | |
| SCHEMBL580419 | 0.62 | RAB9A (0.37) | LMNAHSD17B10HPGDNPSR1ALDH1A1 | |
| SCHEMBL31402771 | 0.62 | SMO (0.50) | PANK3KDM4ECYP2C19LMNAHTT |
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-1877385-A1 | PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006119451-A1 | PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-11-09 | — | — | WO | disclosed |