Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.50 |
| ▸ | CHEK2 | O96017 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084462 | 0.88 | TSHR (0.58) | KMT2AMEN1SMAD3CHEK2MAPT | |
| SCHEMBL1623785 | 0.87 | SMAD3 (0.54) | KMT2AMEN1SMAD3CHEK2MAPT | |
| SCHEMBL1084477 | 0.87 | SMAD3 (0.54) | KMT2AMEN1SMAD3CHEK2MAPT | |
| SCHEMBL1084495 | 0.87 | KMT2A (0.48) | KMT2AMEN1SMAD3CHEK2MAPT | |
| SCHEMBL1084737 | 0.86 | SMAD3 (0.54) | KMT2AMEN1SMAD3CHEK2MAPT | |
| SCHEMBL1084566 | 0.86 | MAPT (0.54) | KMT2AMEN1SMAD3CHEK2MAPT | |
| SCHEMBL1084225 | 0.86 | SMAD3 (0.54) | KMT2AMEN1SMAD3CHEK2MAPT | |
| SCHEMBL1084790 | 0.86 | SMAD3 (0.58) | KMT2AMEN1SMAD3CHEK2MAPT | |
| SCHEMBL1084387 | 0.85 | SMAD3 (0.53) | KMT2AMEN1SMAD3CHEK2MAPT | |
| SCHEMBL13080233 | 0.85 | MEN1 (0.48) | KMT2AMEN1SMAD3CHEK2MAPT |
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 |