Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 12/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.57 |
| ▸ | TSHR | P16473 | 6/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | GLA | P06280 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1083866 | 0.79 | CYP2D6 (0.81) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL16404334 | 0.79 | CYP2D6 (0.87) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL26598946 | 0.76 | METAP1 (0.51) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL23748936 | 0.73 | TLR9 (0.66) | ALDH1A1MAPK1KMT2APDE5AABCB1 | |
| SCHEMBL1083903 | 0.72 | CYP2D6 (0.60) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL1083856 | 0.72 | CYP2D6 (0.74) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL26639491 | 0.72 | ALDH1A1 (0.69) | ALDH1A1MAPK1KMT2AABCB1ABCG2 | |
| SCHEMBL17688811 | 0.72 | ACP1 (0.52) | ALDH1A1LMNAMAPTKDM4EHPGD | |
| SCHEMBL937501 | 0.71 | CYP2D6 (0.70) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL1083911 | 0.71 | CYP2D6 (0.70) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 |
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 |