Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1623413 | 0.91 | CHEK2 (0.54) | CHEK2HIF1ATSHRMAPTTP53 | |
| SCHEMBL13080750 | 0.89 | TSHR (0.54) | TSHRMAPTTP53KDM4EMEN1 | |
| SCHEMBL1624084 | 0.86 | CHEK2 (0.55) | CHEK2HIF1ATSHRMAPTTP53 | |
| SCHEMBL13080754 | 0.84 | TSHR (0.56) | TSHRMAPTTP53KDM4EMEN1 | |
| SCHEMBL1624044 | 0.83 | CHEK2 (0.44) | CHEK2HIF1ATSHRMAPTTP53 | |
| SCHEMBL1622250 | 0.82 | SMAD3 (0.56) | CHEK2HIF1ATSHRMAPTTP53 | |
| SCHEMBL1623757 | 0.82 | SMAD3 (0.56) | CHEK2HIF1ATSHRMAPTTP53 | |
| SCHEMBL13080763 | 0.81 | TSHR (0.45) | TSHRMAPTTP53KDM4EMEN1 | |
| SCHEMBL13080748 | 0.80 | TSHR (0.58) | TSHRMAPTTP53KDM4EMEN1 | |
| SCHEMBL1624020 | 0.77 | CHEK2 (0.45) | CHEK2HIF1ATSHRMAPTTP53 |
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-1784393-B1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2009-07-01 | — | — | EP | disclosed |