Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.53 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.53 |
| ▸ | DHFR | P00374 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4358438 | 1.00 | HTT (0.68) | HTTADRB2ADORA2ADCPSPABPC1 | |
| SCHEMBL4523837 | 0.84 | DHFR (0.58) | HTTDCPSPABPC1DHFR | |
| SCHEMBL29653655 | 0.84 | DHFR (0.58) | HTTDCPSPABPC1DHFR | |
| SCHEMBL30201967 | 0.81 | ADORA2A (0.51) | HTTADRB2ADORA2APABPC1 | |
| SCHEMBL3335047 | 0.81 | ADORA2A (0.51) | HTTADRB2ADORA2APABPC1 | |
| SCHEMBL12575808 | 0.81 | MPO (0.58) | HTTADORA2APABPC1 | |
| SCHEMBL8897424 | 0.81 | HTT (1.00) | HTTADRB2ADORA2APABPC1 | |
| SCHEMBL29623910 | 0.81 | HTT (1.00) | HTTADRB2ADORA2APABPC1 | |
| SCHEMBL4355300 | 0.79 | ADORA2A (0.50) | HTTADRB2ADORA2APABPC1 | |
| Quinazoline-2,4,6-Triamine SCHEMBL30050079 | 0.79 | DCPS (0.57) | DCPSDHFR |
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 |
|---|---|---|---|---|---|---|---|
| CN-114230557-A | Quinazoline-substituted 1,2, 3-triazole derivative, and pharmaceutical composition, preparation method and application thereof | 深圳大学 | 2022-03-25 | — | — | CN | disclosed |