Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CCR5 | P51681 | 3/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL19024529 | 0.93 | AR (0.45) | ALDH1A1MAPTGAAARMAPK1 | |
| SCHEMBL16698451 | 0.90 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDGAALMNA | |
| SCHEMBL16698452 | 0.90 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDGAALMNA | |
| SCHEMBL16391138 | 0.90 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDGAALMNA | |
| SCHEMBL29222153 | 0.85 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDGAALMNA | |
| SCHEMBL16370671 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNA | |
| SCHEMBL16698519 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNA | |
| SCHEMBL16391136 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNA | |
| SCHEMBL3572453 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDLMNACCR5 | |
| SCHEMBL28595455 | 0.79 | MCHR1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117486865-A | Pyrimidine derivatives as kinase inhibitors | 艾森医药公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-112592334-B | Pyrimidine derivatives as kinase inhibitors | 艾森医药公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-112592334-A | Pyrimidine derivatives as kinase inhibitors | 艾森生物科学公司 | 2021-04-02 | — | — | CN | disclosed |