Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.34 |
| ▸ | TCF7L2 | Q9NQB0 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | KRAS | P01116 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.32 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL184162 | 0.88 | CHEK2 (0.44) | CHEK2CTNNB1TCF7L2KRASMAPT | |
| SCHEMBL6110398 | 0.85 | CHEK2 (0.45) | CHEK2CTNNB1TCF7L2KRASMAPT | |
| SCHEMBL1623253 | 0.83 | CHEK2 (0.44) | CHEK2KRASL3MBTL1 | |
| SCHEMBL1623576 | 0.80 | CHEK2 (0.41) | CHEK2KRASNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL1624492 | 0.80 | CHEK2 (0.41) | CHEK2KRASNPC1RAB9A | |
| SCHEMBL1622782 | 0.78 | CHEK2 (0.54) | CHEK2MAPTHIF1AL3MBTL1 | |
| SCHEMBL1622070 | 0.77 | CHEK2 (0.50) | CHEK2CTNNB1TCF7L2MAPTP2RX3 | |
| SCHEMBL1622067 | 0.77 | CHEK2 (0.50) | CHEK2CTNNB1TCF7L2MAPTP2RX3 | |
| SCHEMBL183846 | 0.77 | CHEK2 (0.58) | CHEK2CTNNB1TCF7L2MAPTHIF1A | |
| SCHEMBL183845 | 0.77 | CHEK2 (0.58) | CHEK2CTNNB1TCF7L2MAPTHIF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957482-B1 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMA (US) | 2012-01-04 | — | — | EP | disclosed |