Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13600126 | 0.85 | NPC1 (0.41) | ALDH1A1NPC1RAB9ACA12CA9 | |
| SCHEMBL4445072 | 0.83 | NPC1 (0.41) | ALDH1A1NPC1RAB9ACA12CA9 | |
| SCHEMBL27645456 | 0.81 | BACE1 (0.37) | RIPK1NPC1RAB9ACA12CA9 | |
| SCHEMBL4446810 | 0.81 | JAK2 (0.48) | OPRK1 | |
| SCHEMBL8261369 | 0.76 | ATM (0.36) | ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27645457 | 0.73 | RIPK1 (0.41) | RIPK1NPC1RAB9ACA12CA9 | |
| SCHEMBL15111158 | 0.71 | OPRM1 (0.51) | RIPK1ALDH1A1NPC1RAB9ACA12 | |
| SCHEMBL27805826 | 0.69 | OPRM1 (0.45) | RIPK1ALDH1A1NPC1RAB9ACA12 | |
| SCHEMBL13600170 | 0.69 | NPC1 (0.43) | NPC1RAB9ACA12CA9OPRM1 | |
| SCHEMBL9937650 | 0.65 | ALDH1A1 (0.45) | ALDH1A1OPRM1OPRL1MAOAOPRK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1713781-A1 | QUINAZOLINE DERIVATIVES | AstraZeneca AB (SE) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005075439-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |