Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 1/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084722 | 0.90 | SMAD3 (0.52) | SMAD3CHEK2MEN1KMT2AABCB1 | |
| SCHEMBL1084231 | 0.85 | SMAD3 (0.56) | SMAD3CHEK2MEN1KMT2AABCB1 | |
| SCHEMBL1084472 | 0.85 | SMAD3 (0.46) | SMAD3CHEK2MEN1KMT2AABCB1 | |
| SCHEMBL1084051 | 0.83 | CHEK2 (0.55) | SMAD3CHEK2MEN1KMT2AABCB1 | |
| SCHEMBL13434117 | 0.83 | SMAD3 (0.53) | SMAD3CHEK2MEN1KMT2AABCB1 | |
| SCHEMBL1084616 | 0.83 | SMAD3 (0.50) | SMAD3CHEK2MEN1KMT2AABCB1 | |
| SCHEMBL1624484 | 0.82 | SMAD3 (0.54) | SMAD3CHEK2MEN1KMT2AABCB1 | |
| SCHEMBL1084193 | 0.82 | CHEK2 (0.63) | SMAD3CHEK2MEN1KMT2AMAPT | |
| SCHEMBL1084775 | 0.82 | MEN1 (0.55) | SMAD3CHEK2MEN1KMT2AABCB1 | |
| SCHEMBL1084808 | 0.81 | SMAD3 (0.50) | SMAD3CHEK2MEN1KMT2AABCB1 |
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 7 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-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 |