Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6109608 | 0.92 | MEN1 (0.45) | MEN1KMT2ASMAD3CHEK2MAPT | |
| SCHEMBL1624224 | 0.92 | MEN1 (0.45) | MEN1KMT2ASMAD3CHEK2MAPT | |
| SCHEMBL1622579 | 0.92 | MEN1 (0.45) | MEN1KMT2ASMAD3CHEK2MAPT | |
| SCHEMBL12721350 | 0.89 | MEN1 (0.46) | MEN1KMT2ASMAD3CHEK2MAPT | |
| SCHEMBL1624020 | 0.88 | CHEK2 (0.45) | MEN1KMT2ASMAD3CHEK2MAPT | |
| SCHEMBL12721343 | 0.88 | SMAD3 (0.46) | MEN1KMT2ASMAD3CHEK2MAPT | |
| SCHEMBL12721361 | 0.88 | SMAD3 (0.46) | MEN1KMT2ASMAD3CHEK2MAPT | |
| SCHEMBL12721382 | 0.88 | SMAD3 (0.46) | MEN1KMT2ASMAD3CHEK2MAPT | |
| SCHEMBL1623785 | 0.88 | SMAD3 (0.54) | MEN1KMT2ASMAD3CHEK2MAPT | |
| SCHEMBL939534 | 0.87 | CNR1 (0.46) | MEN1KMT2ASMAD3CHEK2MAPT |
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 3 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-A9 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006028904-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-03-16 | — | — | WO | disclosed |