Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | CXCR1 | P25024 | 5/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28589976 | 1.00 | ACHE (0.58) | ACHEMAOBBCHEMAOACXCR1 | |
| SCHEMBL30488024 | 0.76 | DYRK1A (0.60) | ACHEMAOBBCHEMAOADYRK1A | |
| SCHEMBL28589316 | 0.76 | DYRK1A (0.60) | ACHEMAOBBCHEMAOADYRK1A | |
| SCHEMBL30488027 | 0.76 | DYRK1A (0.60) | ACHEMAOBBCHEMAOADYRK1A | |
| SCHEMBL28586035 | 0.76 | BMP4 (0.50) | CXCR1ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL28600101 | 0.76 | DYRK1A (0.60) | ACHEMAOBBCHEMAOADYRK1A | |
| SCHEMBL30488037 | 0.76 | DYRK1A (0.60) | ACHEMAOBBCHEMAOADYRK1A | |
| SCHEMBL76551 | 0.75 | LTA4H (0.69) | NPC1RAB9ALTA4HHRH3 | |
| SCHEMBL31436945 | 0.73 | RAB9A (0.54) | CXCR1NPC1RAB9ALTA4HHRH3 | |
| SCHEMBL4080135 | 0.73 | LTA4H (0.56) | ACHEMAOBBCHEMAOALTA4H |
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-113061116-B | Aminopyrimidine compound, preparation method, composition and application thereof | 上海医药工业研究院 | 2023-07-25 | — | — | CN | disclosed |