Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 15/20 | 0.55 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24119096 | 1.00 | ADORA1 (0.55) | ADORA1RPS6KA3ADORA2AKMT2APIK3CD | |
| SCHEMBL22172387 | 0.84 | ADORA2B (0.51) | PIK3CDPIK3CAMTORMAPK14 | |
| SCHEMBL30738288 | 0.84 | ADORA2B (0.51) | PIK3CDPIK3CAMTORMAPK14 | |
| SCHEMBL21621288 | 0.83 | ADORA1 (0.55) | ADORA1RPS6KA3ADORA2AKMT2APIK3CD | |
| SCHEMBL29947057 | 0.83 | ADORA1 (0.55) | ADORA1RPS6KA3ADORA2AKMT2APIK3CD | |
| SCHEMBL28343231 | 0.83 | SMN1; SMN2 (0.42) | ADORA1RPS6KA3ADORA2AKMT2ALCK | |
| SCHEMBL30209569 | 0.83 | SMN1; SMN2 (0.42) | ADORA1RPS6KA3ADORA2AKMT2ALCK | |
| SCHEMBL20392699 | 0.82 | ADORA2A (0.59) | ADORA1ADORA2AMAPK14 | |
| SCHEMBL22172355 | 0.81 | MAPK14 (0.40) | ADORA2AMAPK14 | |
| SCHEMBL30721862 | 0.81 | MAPK14 (0.40) | ADORA2AMAPK14 |
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-110684020-B | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-01-20 | — | — | CN | disclosed |