Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.44 |
| ▸ | MEN1 | O00255 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084425 | 0.80 | TSHR (0.55) | TSHRCYP1A2CYP2D6CLK4MAPK1 | |
| SCHEMBL1084142 | 0.80 | TSHR (0.48) | TSHRCYP1A2CYP2D6CLK4MAPK1 | |
| SCHEMBL1084870 | 0.79 | TSHR (0.50) | TSHRCYP1A2CYP2D6CLK4MAPK1 | |
| SCHEMBL1084152 | 0.79 | TSHR (0.53) | TSHRCYP1A2CYP2D6CLK4MAPK1 | |
| SCHEMBL1084217 | 0.79 | CYP2D6 (0.50) | TSHRCYP1A2CYP2D6CLK4MAPK1 | |
| SCHEMBL1083919 | 0.79 | TSHR (0.56) | TSHRCYP1A2CYP2D6CLK4MAPK1 | |
| SCHEMBL1083829 | 0.78 | CYP2D6 (0.70) | TSHRCYP1A2CYP2D6CLK4MAPK1 | |
| SCHEMBL1084413 | 0.78 | CYP2D6 (0.49) | TSHRCYP1A2CYP2D6CLK4MAPK1 | |
| SCHEMBL939041 | 0.77 | CYP1A2 (0.54) | TSHRCYP1A2CYP2D6CLK4MAPK1 | |
| SCHEMBL1084198 | 0.77 | CYP1A2 (0.48) | TSHRCYP1A2CYP2D6CLK4MAPK1 |
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-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 |