Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 3/20 | 0.48 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GBA1 | P04062 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084051 | 0.85 | CHEK2 (0.55) | CHEK2SMAD3MAPTKMT2AMEN1 | |
| SCHEMBL1084440 | 0.85 | SMAD3 (0.46) | CHEK2SMAD3MAPTGBA1KMT2A | |
| SCHEMBL1084472 | 0.85 | SMAD3 (0.46) | CHEK2SMAD3MAPTGBA1KMT2A | |
| SCHEMBL1624309 | 0.83 | CHEK2 (0.47) | CHEK2SMAD3MAPTKMT2AMEN1 | |
| SCHEMBL1624305 | 0.83 | CHEK2 (0.47) | CHEK2SMAD3MAPTKMT2AMEN1 | |
| SCHEMBL12721508 | 0.83 | CHEK2 (0.47) | CHEK2SMAD3MAPTKMT2AMEN1 | |
| SCHEMBL1084715 | 0.83 | CHEK2 (0.49) | CHEK2SMAD3MAPTKMT2AMEN1 | |
| SCHEMBL1084661 | 0.81 | SMAD3 (0.52) | CHEK2SMAD3MAPTKMT2AMEN1 | |
| SCHEMBL1084749 | 0.81 | CHEK2 (0.57) | CHEK2SMAD3MAPTKMT2AMEN1 | |
| SCHEMBL1084738 | 0.79 | CHEK2 (0.55) | CHEK2SMAD3MAPTGBA1KMT2A |
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 |