Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.68 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | JAK2 | O60674 | 7/20 | 0.34 |
| ▸ | JAK3 | P52333 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SETD2 | Q9BYW2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 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 | |
|---|---|---|---|---|
| SCHEMBL4015698 | 1.00 | CHEK2 (0.68) | CHEK2OPRM1OPRD1OPRK1OGFRL1 | |
| SCHEMBL1623662 | 0.95 | CHEK2 (0.61) | CHEK2OPRM1OPRD1OPRK1OGFRL1 | |
| Hydrochloric Acid SCHEMBL4020400 | 0.94 | CHEK2 (0.60) | CHEK2OPRM1OPRD1OPRK1OGFRL1 | |
| SCHEMBL1623249 | 0.89 | CHEK2 (0.62) | CHEK2MAPTJAK2JAK3TSHR | |
| SCHEMBL184161 | 0.88 | CHEK2 (0.63) | CHEK2MAPTJAK2JAK3 | |
| SCHEMBL184160 | 0.88 | CHEK2 (0.63) | CHEK2MAPTJAK2JAK3 | |
| SCHEMBL2733679 | 0.87 | CHEK2 (0.57) | CHEK2MAPTJAK2JAK3SETD2 | |
| SCHEMBL4011372 | 0.86 | CHEK2 (0.67) | CHEK2OPRM1OPRD1OPRK1OGFRL1 | |
| SCHEMBL4014738 | 0.86 | CHEK2 (0.67) | CHEK2OPRM1OPRD1OPRK1OGFRL1 | |
| SCHEMBL5512766 | 0.86 | CHEK2 (0.67) | CHEK2OPRM1OPRD1OPRK1OGFRL1 |
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-1784393-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006028904-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-03-16 | — | — | WO | disclosed |