Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | USP2 | O75604 | 4/20 | 0.60 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CASP7 | P55210 | 1/20 | 0.57 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | METAP1 | P53582 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1083986 | 0.91 | CYP1A2 (0.60) | CYP1A2CYP3A4USP2CLK4MAPK1 | |
| SCHEMBL1084327 | 0.89 | HIF1A (0.74) | CYP1A2CYP3A4USP2CLK4MAPK1 | |
| SCHEMBL1084136 | 0.88 | PIK3CA (0.60) | CYP1A2CYP3A4USP2CLK4MAPK1 | |
| SCHEMBL4089129 | 0.88 | HIF1A (0.76) | CYP1A2CYP3A4USP2CLK4MAPK1 | |
| SCHEMBL4091345 | 0.86 | CYP1A2 (0.66) | CYP1A2CYP3A4USP2CLK4MAPK1 | |
| SCHEMBL1084499 | 0.85 | HIF1A (0.58) | CYP1A2CYP3A4USP2CLK4MAPK1 | |
| SCHEMBL1083920 | 0.82 | CYP1A2 (0.67) | CYP1A2CYP3A4USP2CLK4MAPK1 | |
| SCHEMBL1084688 | 0.82 | PIK3CA (0.55) | CYP1A2CYP3A4USP2CLK4MAPK1 | |
| SCHEMBL1084082 | 0.79 | CHEK2 (0.50) | CYP1A2CYP3A4USP2CLK4MAPK1 | |
| SCHEMBL13433813 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP3A4USP2CLK4MAPK1 |
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 |