Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 7/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | FABP3 | P05413 | 2/20 | 0.42 |
| ▸ | FABP4 | P15090 | 2/20 | 0.42 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1084143 | 0.99 | HTR3A (0.52) | HTR3AHRH4PDE10ACYP2D6CYP1A2 | |
| SCHEMBL1084177 | 0.90 | HRH4 (0.65) | HTR3AHRH4PDE10ACYP2D6CYP1A2 | |
| SCHEMBL1084304 | 0.86 | CYP2D6 (0.59) | CYP2D6CYP1A2TSHRCLK4MAPK1 | |
| SCHEMBL1083873 | 0.85 | CYP2D6 (0.60) | CYP2D6CYP1A2TSHRCLK4MAPK1 | |
| SCHEMBL1084156 | 0.84 | PDE10A (0.54) | HTR3AHRH4PDE10ACYP2D6CYP1A2 | |
| SCHEMBL1083797 | 0.78 | CYP1A2 (0.51) | HTR3AHRH4PDE10ACYP2D6CYP1A2 | |
| SCHEMBL1084188 | 0.77 | CYP1A2 (0.50) | HTR3AHRH4PDE10ACYP2D6CYP1A2 | |
| SCHEMBL1084198 | 0.75 | CYP1A2 (0.48) | HTR3AHRH4PDE10ACYP2D6CYP1A2 | |
| SCHEMBL1084306 | 0.75 | CYP2D6 (0.58) | HTR3ACYP2D6CYP1A2TSHRCLK4 | |
| SCHEMBL1084294 | 0.72 | HIF1A (0.51) | HTR3AHRH4CYP2D6CYP1A2TSHR |
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 |