Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | CASR | P41180 | 2/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084476 | 0.91 | GBA1 (0.39) | GBA1TDP1KMT2ACHEK2MEN1 | |
| SCHEMBL1083956 | 0.84 | GBA1 (0.42) | GBA1TDP1KMT2ACASRCHEK2 | |
| SCHEMBL1084622 | 0.81 | CYP1A2 (0.43) | GBA1TDP1CASRCHEK2TSHR | |
| SCHEMBL1084262 | 0.77 | CYP2D6 (0.50) | TDP1KMT2ACHEK2MEN1TSHR | |
| SCHEMBL1084482 | 0.76 | TSHR (0.43) | GBA1KMT2ACASRCHEK2MEN1 | |
| SCHEMBL1084772 | 0.76 | MAPT (0.39) | GBA1TDP1KMT2ACHEK2MEN1 | |
| SCHEMBL1084108 | 0.76 | TSHR (0.42) | GBA1KMT2ACASRCHEK2MEN1 | |
| SCHEMBL1084405 | 0.75 | GBA1 (0.50) | GBA1TDP1KMT2ACASRCHEK2 | |
| SCHEMBL1084483 | 0.74 | MAPT (0.51) | KMT2ACASRCHEK2MEN1TSHR | |
| SCHEMBL1084811 | 0.74 | PDE5A (0.40) | GBA1KMT2ACASRCHEK2MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |