Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 3/20 | 0.50 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.49 |
| ▸ | MTOR | P42345 | 2/20 | 0.49 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084784 | 0.91 | SMAD3 (0.58) | CHEK2SMAD3PIK3CAMTORPIK3CG | |
| SCHEMBL13433813 | 0.90 | CYP1A2 (0.53) | CHEK2PIK3CAMTORUSP2CYP1A2 | |
| SCHEMBL1084650 | 0.90 | SMAD3 (0.57) | CHEK2SMAD3PIK3CAMTORUSP2 | |
| SCHEMBL1084136 | 0.90 | PIK3CA (0.60) | CHEK2SMAD3PIK3CAMTORPIK3CG | |
| SCHEMBL1084362 | 0.89 | SMAD3 (0.51) | CHEK2SMAD3PIK3CAMTORPIK3CG | |
| SCHEMBL1084264 | 0.85 | CHRM4 (0.52) | CHEK2SMAD3PIK3CAMTORPIK3CG | |
| SCHEMBL1084501 | 0.84 | CHEK2 (0.50) | CHEK2SMAD3PIK3CAMTORPIK3CG | |
| SCHEMBL1621893 | 0.84 | SMAD3 (0.56) | CHEK2SMAD3PIK3CAPIK3CGPIK3CD | |
| SCHEMBL1084744 | 0.83 | SMAD3 (0.50) | CHEK2SMAD3PIK3CAMTORPIK3CG | |
| SCHEMBL1084119 | 0.83 | CYP1A2 (0.50) | CHEK2SMAD3PIK3CAMTORPIK3CG |
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 6 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 |