Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKACA | P17612 | 8/20 | 0.37 |
| ▸ | GSK3B | P49841 | 7/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 6/20 | 0.37 |
| ▸ | HTR7 | P34969 | 7/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30995223 | 0.81 | ROCK1 (0.46) | PRKACAGSK3BROCK1RPS6KB1KDM4E | |
| SCHEMBL30995162 | 0.81 | CYP11B2 (0.44) | PRKACAGSK3BROCK1RPS6KB1NOS3 | |
| SCHEMBL30995208 | 0.77 | CYP11B2 (0.40) | PRKACAGSK3BROCK1RPS6KB1NOS3 | |
| SCHEMBL30995124 | 0.77 | ALDH1A1 (0.42) | PRKACAGSK3BROCK1RPS6KB1HTR7 | |
| SCHEMBL30995193 | 0.77 | CYP11B2 (0.40) | PRKACAGSK3BROCK1RPS6KB1NOS3 | |
| SCHEMBL28163312 | 0.76 | ALDH1A1 (0.42) | HTR7HTR6KDM4EALDH1A1MAPT | |
| SCHEMBL30995185 | 0.76 | MCL1 (0.46) | HTR7KDM4EALDH1A1MAPTKMT2A | |
| SCHEMBL30995169 | 0.75 | ADORA3 (0.35) | PRKACAGSK3BROCK1RPS6KB1ADORA3 | |
| SCHEMBL17583061 | 0.75 | HCAR1 (0.45) | PRKACAGSK3BROCK1RPS6KB1ADORA3 | |
| SCHEMBL5087799 | 0.74 | OPRM1 (0.44) | PRKACAGSK3BROCK1RPS6KB1 |
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-118530160-A | Aromatic heterocyclic compound, preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-08-23 | — | — | CN | disclosed |