Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.58 |
| ▸ | TSHR | P16473 | 8/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.58 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1083873 | 0.90 | CYP2D6 (0.60) | CYP2D6CYP1A2TSHRMAPK1CYP2C19 | |
| SCHEMBL1084304 | 0.89 | CYP2D6 (0.59) | CYP2D6CYP1A2TSHRMAPK1CYP2C19 | |
| SCHEMBL1084177 | 0.86 | HRH4 (0.65) | CYP2D6CYP1A2TSHRMAPK1CYP2C19 | |
| SCHEMBL1084143 | 0.76 | HTR3A (0.52) | CYP2D6CYP1A2TSHRMAPK1CYP2C19 | |
| SCHEMBL1084235 | 0.75 | HTR3A (0.51) | CYP2D6CYP1A2TSHRMAPK1CYP2C19 | |
| SCHEMBL937501 | 0.73 | CYP2D6 (0.70) | CYP2D6CYP1A2TSHRMAPK1CYP2C19 | |
| SCHEMBL1084245 | 0.73 | CYP2D6 (0.70) | CYP2D6CYP1A2TSHRMAPK1CYP2C19 | |
| SCHEMBL939168 | 0.73 | CYP2D6 (0.70) | CYP2D6CYP1A2TSHRMAPK1CYP2C19 | |
| SCHEMBL1083911 | 0.73 | CYP2D6 (0.70) | CYP2D6CYP1A2TSHRMAPK1CYP2C19 | |
| SCHEMBL1083829 | 0.73 | CYP2D6 (0.70) | CYP2D6CYP1A2TSHRMAPK1CYP2C19 |
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 7 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 |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |