Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 3/20 | 0.60 |
| ▸ | APP | P05067 | 4/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | BCHE | P06276 | 2/20 | 0.57 |
| ▸ | ACHE | P22303 | 2/20 | 0.57 |
| ▸ | CDK9 | P50750 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14869438 | 1.00 | HTR7 (0.60) | HTR7APPCA1CA2CA9 | |
| SCHEMBL14869419 | 0.92 | APP (0.65) | HTR7APPCA1CA2CA9 | |
| SCHEMBL14869405 | 0.91 | HTR7 (0.68) | HTR7APPCA1CA2CA9 | |
| SCHEMBL2451092 | 0.89 | APP (0.64) | HTR7APPCA1CA2CA9 | |
| SCHEMBL14869457 | 0.86 | APP (0.58) | APPCA1CA2CA9BCHE | |
| SCHEMBL14869402 | 0.85 | NPSR1 (0.64) | APPCA1CA2CA9BCHE | |
| SCHEMBL29609599 | 0.85 | NPSR1 (0.64) | APPCA1CA2CA9BCHE | |
| SCHEMBL1938196 | 0.84 | HTR7 (0.56) | HTR7APPCA1CA2CA9 | |
| SCHEMBL22151175 | 0.83 | APP (0.64) | APPBCHEACHEADORA2AADORA2B | |
| SCHEMBL14869396 | 0.82 | HPGD (0.62) | HTR7APPCA1CA2CA9 |
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-108191774-B | Heterocyclic compound, preparation method and application thereof | 中国药科大学 | 2022-05-24 | — | — | CN | disclosed |