Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.46 |
| ▸ | PRKACA | P17612 | 6/20 | 0.46 |
| ▸ | GSK3B | P49841 | 6/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.42 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5087799 | 0.93 | OPRM1 (0.44) | ROCK1PRKACAGSK3BRPS6KB1OPRM1 | |
| SCHEMBL30995183 | 0.81 | PRKACA (0.37) | ROCK1PRKACAGSK3BRPS6KB1MAPT | |
| SCHEMBL30995162 | 0.81 | CYP11B2 (0.44) | ROCK1PRKACAGSK3BRPS6KB1OPRM1 | |
| SCHEMBL30995208 | 0.78 | CYP11B2 (0.40) | ROCK1PRKACAGSK3BRPS6KB1KDM4E | |
| SCHEMBL30995193 | 0.78 | CYP11B2 (0.40) | ROCK1PRKACAGSK3BRPS6KB1KDM4E | |
| SCHEMBL30995124 | 0.78 | ALDH1A1 (0.42) | ROCK1PRKACAGSK3BRPS6KB1MAPT | |
| SCHEMBL28331999 | 0.76 | PLA2G10 (0.48) | OPRM1OPRD1OPRK1OGFRL1OPRL1 | |
| SCHEMBL30995119 | 0.75 | PIK3CA (0.38) | ROCK1PRKACAGSK3BRPS6KB1OPRM1 | |
| SCHEMBL27739489 | 0.74 | TP53 (0.46) | ROCK1PRKACAGSK3BRPS6KB1OPRM1 | |
| SCHEMBL30995232 | 0.73 | ALDH1A1 (0.55) | OPRM1OPRD1OPRK1OGFRL1ALDH1A1 |
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 |