Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 3/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084622 | 0.90 | CYP1A2 (0.43) | GBA1KCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1084187 | 0.89 | GBA1 (0.51) | GBA1CYP1A2CYP3A4MAPTCYP2D6 | |
| SCHEMBL1084108 | 0.86 | TSHR (0.42) | GBA1CYP1A2CYP3A4MAPTCYP2D6 | |
| SCHEMBL1084908 | 0.82 | MEN1 (0.41) | GBA1CYP1A2CYP3A4MAPTCYP2D6 | |
| SCHEMBL1084073 | 0.82 | GBA1 (0.50) | GBA1CYP1A2CYP3A4MAPTCYP2D6 | |
| SCHEMBL1084636 | 0.82 | PDE5A (0.44) | GBA1CYP1A2CYP3A4MAPTCYP2D6 | |
| SCHEMBL1084262 | 0.81 | CYP2D6 (0.50) | CYP1A2CYP3A4MAPTCYP2D6CYP2C19 | |
| SCHEMBL1084482 | 0.81 | TSHR (0.43) | GBA1CYP1A2CYP3A4MAPTCYP2D6 | |
| SCHEMBL1084811 | 0.80 | PDE5A (0.40) | GBA1CYP1A2CYP3A4MAPTCYP2D6 | |
| SCHEMBL1084792 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP3A4MAPTCYP2D6CYP2C19 |
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 8 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 |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |