Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.44 |
| ▸ | GSTO1 | P78417 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 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 | |
|---|---|---|---|---|
| SCHEMBL1084878 | 0.90 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL1084201 | 0.83 | TSHR (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL1084108 | 0.80 | TSHR (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL1084843 | 0.79 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL1084636 | 0.79 | PDE5A (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL1084405 | 0.79 | GBA1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL1084262 | 0.79 | CYP2D6 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL1084482 | 0.79 | TSHR (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL1084811 | 0.78 | PDE5A (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL1084483 | 0.76 | MAPT (0.51) | LMNAMAPTTSHRKMT2AHIF1A |
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-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 |