Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.54 |
| ▸ | LDHA | P00338 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | GRM8 | O00222 | 1/20 | 0.47 |
| ▸ | GRM6 | O15303 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | CDC42 | P60953 | 1/20 | 0.46 |
| ▸ | RAC1 | P63000 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21194023 | 1.00 | AKR1C3 (0.54) | AKR1C3AKR1C2PTGS1AKR1C1LDHA | |
| SCHEMBL15535590 | 0.85 | AKR1C3 (0.76) | AKR1C3AKR1C2PTGS1AKR1C1L3MBTL1 | |
| SCHEMBL28332935 | 0.84 | CPN1 (0.48) | PTGS1L3MBTL1PTGS2CYP1A2TSHR | |
| SCHEMBL22095156 | 0.84 | AKR1C3 (0.73) | AKR1C3AKR1C2PTGS1AKR1C1LDHA | |
| SCHEMBL490727 | 0.84 | AKR1C3 (0.55) | AKR1C3AKR1C2PTGS1AKR1C1LDHA | |
| SCHEMBL1587133 | 0.84 | AKR1C3 (0.73) | AKR1C3AKR1C2PTGS1AKR1C1LDHA | |
| SCHEMBL11266916 | 0.82 | PTGS1 (0.58) | AKR1C3AKR1C2PTGS1AKR1C1LDHA | |
| SCHEMBL7891728 | 0.82 | L3MBTL1 (0.68) | AKR1C3AKR1C2PTGS1AKR1C1LDHA | |
| SCHEMBL27751247 | 0.82 | AKR1C3 (0.54) | AKR1C3AKR1C2PTGS1AKR1C1LDHA | |
| SCHEMBL21342451 | 0.81 | ALOX15 (0.47) | AKR1C3AKR1C2PTGS1AKR1C1ROCK2 |
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-109790114-B | Novel chiral ligand, metal chelate, various unnatural amino acids and synthesis method of maraviroc and key intermediate thereof | 中国科学院上海药物研究所 | 2025-03-07 | — | — | CN | disclosed |