Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4020304 | 0.99 | HRH4 (0.50) | HRH4HRH3KCNH2TAAR1CYP1A2 | |
| SCHEMBL3718191 | 0.83 | SMN1; SMN2 (0.62) | HRH4CYP1A2CYP3A4TSHRCLK4 | |
| SCHEMBL5503125 | 0.81 | HRH4 (0.52) | HRH4HRH3KCNH2CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4012898 | 0.80 | HRH4 (0.51) | HRH4HRH3KCNH2CYP1A2CYP2D6 | |
| SCHEMBL27484768 | 0.80 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL4013931 | 0.79 | HRH4 (0.50) | HRH4MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL2921599 | 0.77 | HTT (0.58) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL183907 | 0.76 | MAT2A (0.49) | HRH4HRH3KCNH2SMN1; SMN2ALDH1A1 | |
| SCHEMBL183906 | 0.76 | MAT2A (0.49) | HRH4HRH3KCNH2SMN1; SMN2ALDH1A1 | |
| SCHEMBL4016152 | 0.75 | HRH4 (0.44) | HRH4HSD17B10ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1784393-B1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2009-07-01 | — | — | EP | disclosed |
| EP-1784393-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006028904-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-03-16 | — | — | WO | disclosed |