Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | MAPT | P10636 | 4/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | GPR6 | P46095 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084620 | 0.93 | ALDH1A1 (0.69) | ALDH1A1MAPTTSHRL3MBTL1KDM4E | |
| SCHEMBL1084106 | 0.92 | ALDH1A1 (0.77) | ALDH1A1MAPTTSHRL3MBTL1KDM4E | |
| SCHEMBL1084662 | 0.88 | ALDH1A1 (0.71) | ALDH1A1MAPTTSHRL3MBTL1KDM4E | |
| SCHEMBL1084128 | 0.87 | ALDH1A1 (0.64) | ALDH1A1MAPTTSHRL3MBTL1KDM4E | |
| SCHEMBL1084126 | 0.87 | ALDH1A1 (0.69) | ALDH1A1MAPTTSHRL3MBTL1KDM4E | |
| SCHEMBL1084052 | 0.84 | ALDH1A1 (0.62) | ALDH1A1MAPTTSHRL3MBTL1KDM4E | |
| SCHEMBL1084293 | 0.83 | KMT2A (0.58) | ALDH1A1MAPTTSHRL3MBTL1KDM4E | |
| SCHEMBL1084556 | 0.83 | ALDH1A1 (0.78) | ALDH1A1MAPTTSHRL3MBTL1KDM4E | |
| SCHEMBL1084539 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPTTSHRL3MBTL1KDM4E | |
| SCHEMBL1084463 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPTTSHRL3MBTL1KDM4E |
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 |