Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 1/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.73 |
| ▸ | TSHR | P16473 | 5/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.73 |
| ▸ | USP2 | O75604 | 4/20 | 0.73 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.73 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | CASP7 | P55210 | 1/20 | 0.73 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.70 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.70 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL1083839 | 0.88 | SMAD3 (0.80) | SMAD3CYP1A2CYP3A4TSHRALDH1A1 | |
| SCHEMBL1083756 | 0.88 | SMAD3 (1.00) | SMAD3CYP1A2CYP3A4TSHRALDH1A1 | |
| SCHEMBL1083847 | 0.86 | SMAD3 (0.97) | SMAD3TSHRALDH1A1USP2MAPK1 | |
| SCHEMBL1084089 | 0.86 | SMAD3 (0.97) | SMAD3TSHRALDH1A1USP2MAPK1 | |
| SCHEMBL1084399 | 0.86 | SMAD3 (0.97) | SMAD3TSHRALDH1A1USP2MAPK1 | |
| SCHEMBL1083945 | 0.86 | PIK3CA (0.60) | SMAD3CYP1A2CYP3A4TSHRALDH1A1 | |
| SCHEMBL1084136 | 0.86 | PIK3CA (0.60) | SMAD3CYP1A2CYP3A4TSHRALDH1A1 | |
| SCHEMBL1084716 | 0.86 | CYP1A2 (0.61) | SMAD3CYP1A2CYP3A4TSHRALDH1A1 | |
| SCHEMBL1084204 | 0.86 | PIK3CA (0.59) | SMAD3CYP1A2CYP3A4TSHRALDH1A1 | |
| SCHEMBL1084946 | 0.86 | CYP1A2 (0.61) | SMAD3CYP1A2CYP3A4TSHRALDH1A1 |
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 |