Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | USP2 | O75604 | 3/20 | 0.61 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CASP7 | P55210 | 1/20 | 0.61 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.60 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.59 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.59 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | MTOR | P42345 | 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 | |
|---|---|---|---|---|
| SCHEMBL1084946 | 0.91 | CYP1A2 (0.61) | CYP1A2CYP3A4TSHRUSP2CLK4 | |
| SCHEMBL1084601 | 0.88 | SMAD3 (0.71) | CYP1A2CYP3A4TSHRUSP2MAPK1 | |
| SCHEMBL1084829 | 0.87 | MEN1 (0.76) | CYP1A2CYP3A4TSHRCLK4MAPK1 | |
| SCHEMBL1084029 | 0.86 | PIK3CA (0.60) | CYP1A2CYP3A4TSHRUSP2CLK4 | |
| SCHEMBL1083945 | 0.86 | PIK3CA (0.60) | CYP1A2CYP3A4TSHRUSP2CLK4 | |
| SCHEMBL1084136 | 0.86 | PIK3CA (0.60) | CYP1A2CYP3A4TSHRUSP2CLK4 | |
| SCHEMBL1084043 | 0.86 | CYP1A2 (0.60) | CYP1A2CYP3A4TSHRUSP2CLK4 | |
| SCHEMBL1084048 | 0.86 | SMAD3 (0.78) | CYP1A2CYP3A4TSHRUSP2CLK4 | |
| SCHEMBL1083933 | 0.83 | PIK3CA (0.53) | CYP1A2CYP3A4TSHRUSP2CLK4 | |
| SCHEMBL1084392 | 0.82 | USP2 (0.64) | CYP1A2CYP3A4TSHRUSP2CLK4 |
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 |