Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.47 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084712 | 0.92 | SMAD3 (0.54) | CHRM4CHEK2SMAD3MEN1KMT2A | |
| SCHEMBL1084272 | 0.91 | SMAD3 (0.53) | CHRM4CHEK2SMAD3MEN1KMT2A | |
| SCHEMBL12721577 | 0.90 | SMAD3 (0.51) | CHEK2SMAD3MEN1KMT2AALDH1A1 | |
| SCHEMBL1084715 | 0.90 | CHEK2 (0.49) | CHRM4CHEK2SMAD3PIK3CAPIK3CD | |
| SCHEMBL1084136 | 0.87 | PIK3CA (0.60) | CHEK2SMAD3PIK3CAPIK3CDPIK3CG | |
| SCHEMBL1084082 | 0.85 | CHEK2 (0.50) | CHEK2SMAD3PIK3CAPIK3CDPIK3CG | |
| SCHEMBL1083994 | 0.85 | TSHR (0.58) | CHEK2SMAD3CYP3A4MEN1KMT2A | |
| SCHEMBL1084661 | 0.85 | SMAD3 (0.52) | CHEK2SMAD3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1084669 | 0.84 | SMAD3 (0.51) | CHEK2SMAD3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1084084 | 0.84 | ALDH1A1 (0.47) | CHRM4CHEK2SMAD3PIK3CAPIK3CD |
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 |