Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.47 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.46 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3188093 | 1.00 | APP (0.50) | APPMAPK1GRM4PTK6KCNN3 | |
| SCHEMBL3298034 | 0.89 | HTR3E (0.47) | APPMAPK1GRM4HTR3EHTR3B | |
| SCHEMBL657412 | 0.86 | MAPK1 (0.62) | APPMAPK1EGFRMEN1NPC1 | |
| SCHEMBL13535858 | 0.85 | MAPK1 (0.48) | APPMAPK1GRM4PTK6KCNN3 | |
| SCHEMBL3300171 | 0.85 | HTR3E (0.43) | APPMAPK1GRM4KCNN3HTR3E | |
| SCHEMBL24213451 | 0.82 | LMNA (0.42) | MAPK1HTR3EHTR3BHTR3AROCK1 | |
| SCHEMBL3198599 | 0.81 | ABCG2 (0.49) | MAPK1GRM4HTR3EHTR3BHTR3A | |
| SCHEMBL3197568 | 0.81 | MAPK1 (0.73) | APPMAPK1EGFRMEN1NPC1 | |
| SCHEMBL659167 | 0.81 | MEN1 (0.49) | GRM4PTK6HTR3EHTR3BHTR3A | |
| SCHEMBL3302653 | 0.80 | LMNA (0.67) | MAPK1MEN1NPC1LMNAMAPT |
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-112574177-B | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2023-01-31 | — | — | CN | disclosed |