Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.64 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.59 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.59 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.59 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.59 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.59 |
| ▸ | PIK3R5 | Q8WYR1 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | STAT6 | P42226 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | NTSR1 | P30989 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1083923 | 0.90 | KDM4E (0.71) | USP2CYP1A2CYP3A4MAPK1CLK4 | |
| SCHEMBL1083920 | 0.87 | CYP1A2 (0.67) | USP2CYP1A2CYP3A4MAPK1CLK4 | |
| SCHEMBL1084043 | 0.86 | CYP1A2 (0.60) | USP2CYP1A2CYP3A4MAPK1CLK4 | |
| SCHEMBL1084406 | 0.83 | CYP1A2 (0.64) | USP2CYP1A2CYP3A4MAPK1CLK4 | |
| SCHEMBL1084716 | 0.82 | CYP1A2 (0.61) | USP2CYP1A2CYP3A4MAPK1CLK4 | |
| SCHEMBL1084946 | 0.82 | CYP1A2 (0.61) | USP2CYP1A2CYP3A4MAPK1CLK4 | |
| SCHEMBL1084048 | 0.81 | SMAD3 (0.78) | USP2CYP1A2CYP3A4MAPK1CLK4 | |
| SCHEMBL1084136 | 0.80 | PIK3CA (0.60) | USP2CYP1A2CYP3A4MAPK1CLK4 | |
| SCHEMBL1083945 | 0.80 | PIK3CA (0.60) | USP2CYP1A2CYP3A4MAPK1CLK4 | |
| SCHEMBL1084204 | 0.80 | PIK3CA (0.59) | USP2CYP1A2CYP3A4MAPK1CLK4 |
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-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 |