Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084859 | 0.99 | SMAD3 (0.58) | SMAD3KMT2AMEN1CHEK2ALDH1A1 | |
| SCHEMBL1084602 | 0.91 | SMAD3 (0.51) | SMAD3KMT2AMEN1CHEK2ALDH1A1 | |
| SCHEMBL1084119 | 0.90 | CYP1A2 (0.50) | SMAD3KMT2AMEN1CHEK2ALDH1A1 | |
| SCHEMBL1084508 | 0.90 | SMAD3 (0.50) | SMAD3KMT2AMEN1CHEK2ALDH1A1 | |
| SCHEMBL13769142 | 0.90 | SMAD3 (0.71) | SMAD3KMT2AMEN1CHEK2ALDH1A1 | |
| SCHEMBL1084473 | 0.89 | SMAD3 (0.51) | SMAD3KMT2AMEN1CHEK2ALDH1A1 | |
| SCHEMBL2734047 | 0.88 | SMAD3 (0.73) | SMAD3KMT2AMEN1CHEK2ALDH1A1 | |
| SCHEMBL1084807 | 0.88 | SMAD3 (0.57) | SMAD3KMT2AMEN1CHEK2ALDH1A1 | |
| SCHEMBL1084475 | 0.87 | SMAD3 (0.52) | SMAD3KMT2AMEN1CHEK2ALDH1A1 | |
| SCHEMBL1084790 | 0.87 | SMAD3 (0.58) | SMAD3KMT2AMEN1CHEK2ALDH1A1 |
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-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 |