Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 5/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.48 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | SPR | P35270 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL1084461 | 0.89 | CHEK2 (0.51) | GBA1CHEK2SMAD3PDE10AMEN1 | |
| SCHEMBL13433775 | 0.87 | GBA1 (0.47) | GBA1CHEK2PDE10ASPRMAPT | |
| SCHEMBL1084582 | 0.82 | POLB (0.42) | GBA1CHEK2SMAD3MEN1KMT2A | |
| SCHEMBL1084472 | 0.80 | SMAD3 (0.46) | GBA1CHEK2SMAD3MEN1KMT2A | |
| SCHEMBL1084931 | 0.79 | CHEK2 (0.53) | GBA1CHEK2SMAD3MEN1KMT2A | |
| SCHEMBL1084447 | 0.79 | CHEK2 (0.78) | CHEK2SMAD3MEN1KMT2AMAPT | |
| SCHEMBL1084231 | 0.78 | SMAD3 (0.56) | GBA1CHEK2SMAD3MEN1KMT2A | |
| SCHEMBL1084808 | 0.78 | SMAD3 (0.50) | GBA1CHEK2SMAD3MEN1KMT2A | |
| SCHEMBL1084557 | 0.78 | ALDH1A1 (0.67) | SMAD3MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL1084455 | 0.77 | SMAD3 (0.54) | GBA1CHEK2SMAD3PDE10AMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |