Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.44 |
| ▸ | SLC29A1 | Q99808 | 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 | |
|---|---|---|---|---|
| SCHEMBL8715969 | 1.00 | HTR2C (0.52) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL19696891 | 1.00 | HTR2C (0.52) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| Hydrochloric Acid SCHEMBL30632601 | 0.99 | HTR2C (0.51) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL21590395 | 0.90 | CA1 (0.56) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL21594461 | 0.90 | CA1 (0.56) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL13354770 | 0.90 | CA1 (0.56) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL28503174 | 0.89 | HTR2C (0.54) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL29724285 | 0.89 | HTR2C (0.51) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL28556404 | 0.89 | HTR2C (0.54) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL30289297 | 0.86 | HTR2C (0.49) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 |
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-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006028904-A9 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006028904-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-03-16 | — | — | WO | disclosed |