Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 2/20 | 0.46 |
| ▸ | TCF7L2 | Q9NQB0 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | GBA1 | P04062 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084187 | 0.90 | GBA1 (0.51) | CTNNB1TCF7L2CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL1084622 | 0.89 | CYP1A2 (0.43) | CTNNB1TCF7L2ESR1CYP2D6CYP2C9 | |
| SCHEMBL1084001 | 0.89 | GBA1 (0.51) | ESR1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1084708 | 0.88 | KMT2A (0.41) | CTNNB1TCF7L2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1084664 | 0.85 | GBA1 (0.49) | ESR1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL1084719 | 0.83 | GBA1 (0.42) | CTNNB1TCF7L2ESR1CYP2D6CYP2C9 | |
| SCHEMBL1084373 | 0.82 | LMNA (0.51) | CYP2D6CYP2C19CYP1A2CYP3A4TSHR | |
| SCHEMBL1084476 | 0.82 | GBA1 (0.39) | CYP2D6CYP2C19CYP1A2CYP3A4TSHR | |
| SCHEMBL1084881 | 0.81 | TSHR (0.44) | CYP2D6CYP2C19CYP1A2CYP3A4TSHR | |
| SCHEMBL1084055 | 0.81 | NMT1 (0.42) | CYP2D6CYP2C19CYP1A2CYP3A4TSHR |
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 |