Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | ACP1 | P24666 | 2/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3977120 | 0.88 | NPC1 (0.49) | NPC1RAB9AL3MBTL1HTTATM | |
| SCHEMBL3976890 | 0.83 | SLC2A1 (0.46) | NPSR1 | |
| SCHEMBL3974312 | 0.74 | POLB (0.53) | NPC1RAB9AL3MBTL1HTTNPSR1 | |
| SCHEMBL3973240 | 0.74 | HTT (0.43) | NPC1RAB9AHTTXBP1ATM | |
| SCHEMBL3978931 | 0.74 | KCNH2 (0.42) | NPC1RAB9AHTTXBP1ATM | |
| SCHEMBL27599318 | 0.74 | TP53 (0.39) | NPC1RAB9AL3MBTL1HTTXBP1 | |
| SCHEMBL3974310 | 0.73 | GBA1 (0.51) | PDE5AKMT2A | |
| SCHEMBL3973898 | 0.70 | LMNA (0.45) | NPC1RAB9AHTTXBP1ATM | |
| SCHEMBL27581755 | 0.69 | SLC6A3 (0.41) | NPC1RAB9AL3MBTL1HTTXBP1 | |
| SCHEMBL3979623 | 0.68 | POLB (0.37) | TP53CYP1A1CYP1A2CYP1B1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004030672-A1 | USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS | MERCK PATENT GMBH (DE) | 2004-04-15 | — | — | WO | disclosed |