Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1622626 | 0.89 | SMAD3 (0.55) | SMAD3MEN1KMT2ACHEK2TSHR | |
| SCHEMBL1624268 | 0.86 | SMAD3 (0.59) | SMAD3MEN1KMT2ACHEK2TSHR | |
| SCHEMBL1624722 | 0.83 | SMAD3 (0.55) | SMAD3MEN1KMT2ACHEK2TSHR | |
| SCHEMBL13769806 | 0.82 | SMAD3 (0.54) | SMAD3MEN1KMT2ACHEK2TSHR | |
| SCHEMBL1623313 | 0.82 | SMAD3 (0.67) | SMAD3MEN1KMT2ACHEK2TSHR | |
| SCHEMBL1621972 | 0.82 | SMAD3 (0.56) | SMAD3MEN1KMT2ACHEK2TSHR | |
| SCHEMBL1624000 | 0.81 | SMAD3 (0.57) | SMAD3MEN1KMT2ACHEK2TSHR | |
| SCHEMBL1623965 | 0.80 | MEN1 (0.44) | SMAD3MEN1KMT2ACHEK2TSHR | |
| SCHEMBL13080749 | 0.77 | TSHR (0.57) | MEN1KMT2ATSHRALDH1A1MAPT | |
| SCHEMBL1622627 | 0.77 | MEN1 (0.47) | SMAD3MEN1KMT2ACHEK2TSHR |
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 |