Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | PRNP | P04156 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | MTOR | P42345 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL5917501 | 0.83 | NPC1 (0.44) | NPC1RAB9AMEN1KMT2ANPSR1 | |
| SCHEMBL6667631 | 0.81 | RXFP1 (0.31) | NR4A2CYP2D6PRNPCHRM2CHRM4 | |
| SCHEMBL6667816 | 0.80 | FLT3 (0.42) | — | |
| SCHEMBL16568037 | 0.76 | NR4A2 (0.46) | NR4A2CYP2D6PRNPCHRM2CHRM4 | |
| SCHEMBL17799171 | 0.74 | USP2 (0.52) | CYP2D6PRNPCHRM2CHRM4CHRM5 | |
| SCHEMBL30026121 | 0.70 | NR4A2 (0.44) | NR4A2CYP2D6PRNPCHRM2CHRM4 | |
| SCHEMBL28887030 | 0.67 | CYP1A2 (0.41) | NR4A2CYP2D6CYP1A2NPC1KDM4E | |
| SCHEMBL6672856 | 0.67 | FLT3 (0.46) | — | |
| SCHEMBL6672860 | 0.67 | FLT3 (0.46) | — | |
| SCHEMBL3973470 | 0.67 | POLB (0.44) | NR4A2HSD17B10POLBKDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004030672-A1 | USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS | MERCK PATENT GMBH (DE) | 2004-04-15 | — | — | WO | disclosed |
| EP-1318984-A1 | 4-AMINO-QUINAZOLINES | MERCK PATENT GmbH (DE) | 2003-06-18 | — | — | EP | disclosed |
| WO-2002024667-A1 | 4-AMINO-QUINAZOLINES | MERCK PATENT GMBH (DE) | 2002-03-28 | — | — | WO | disclosed |