Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | TKT | P29401 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24786994 | 0.85 | ADORA2A (0.43) | ADORA1ADORA2AADORA3ADORA2BCHEK1 | |
| SCHEMBL2069294 | 0.76 | ADORA3 (0.46) | ADORA1ADORA2AADORA3ADORA2BCHEK1 | |
| SCHEMBL2069432 | 0.76 | ADORA3 (0.46) | ADORA1ADORA2AADORA3ADORA2BNPC1 | |
| SCHEMBL24786986 | 0.74 | TKT (0.55) | ADORA1ADORA2AADORA3ADORA2BNPC1 | |
| SCHEMBL485305 | 0.74 | FYN (0.45) | CHEK1CHEK2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24786993 | 0.73 | FOS (0.49) | ADORA1ADORA2AADORA3ADORA2BSMN1; SMN2 | |
| SCHEMBL27933640 | 0.71 | KDM4E (0.46) | ADORA1ADORA2AADORA3ADORA2BCHEK1 | |
| SCHEMBL22573590 | 0.71 | SMN1; SMN2 (0.60) | ADORA1ADORA2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24787416 | 0.71 | L3MBTL1 (0.52) | ADORA1ADORA2ACHEK2NPC1RAB9A | |
| SCHEMBL22573706 | 0.71 | FOS (0.44) | ADORA1ADORA2AADORA3ADORA2BNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022257875-A1 | PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海日馨医药科技股份有限公司 | 2022-12-15 | — | — | WO | disclosed |