Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.48 |
| ▸ | GBA1 | P04062 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL1084455 | 0.92 | SMAD3 (0.54) | SMAD3CYP1A2CYP2D6MAPTALDH1A1 | |
| SCHEMBL1084063 | 0.88 | SMAD3 (0.52) | SMAD3CYP1A2CYP2D6MAPTALDH1A1 | |
| SCHEMBL1084403 | 0.86 | MEN1 (0.50) | SMAD3CYP1A2CYP2D6MAPTALDH1A1 | |
| SCHEMBL14406060 | 0.84 | ALDH1A1 (0.61) | SMAD3CYP1A2CYP2D6MAPTALDH1A1 | |
| SCHEMBL1084465 | 0.83 | SMAD3 (0.58) | SMAD3CYP1A2CYP2D6MAPTALDH1A1 | |
| SCHEMBL1084511 | 0.83 | SMAD3 (0.53) | SMAD3CYP1A2MAPTALDH1A1L3MBTL1 | |
| SCHEMBL1084931 | 0.82 | CHEK2 (0.53) | SMAD3CYP1A2CYP2D6MAPTALDH1A1 | |
| SCHEMBL1084807 | 0.82 | SMAD3 (0.57) | SMAD3CYP2D6MAPTALDH1A1L3MBTL1 | |
| SCHEMBL1084648 | 0.82 | SMAD3 (0.52) | SMAD3MAPTALDH1A1L3MBTL1TSHR | |
| SCHEMBL1083975 | 0.81 | SMAD3 (0.51) | SMAD3CYP1A2CYP2D6MAPTALDH1A1 |
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 |