Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 6/20 | 0.58 |
| ▸ | GABBR1 | Q9UBS5 | 6/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | THRB | P10828 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5860866 | 1.00 | GABBR2 (0.58) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL191271 | 0.98 | GABBR2 (0.56) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL191270 | 0.98 | GABBR2 (0.56) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL28332935 | 0.89 | CPN1 (0.48) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL27847411 | 0.86 | GABBR2 (0.55) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL4830664 | 0.85 | CYP2C9 (0.51) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL10255978 | 0.84 | GABBR2 (0.53) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL22831450 | 0.83 | CYP2C9 (0.50) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL8217885 | 0.82 | BRD4 (0.53) | GABBR2GABBR1CYP2C9KMT2ALMNA | |
| SCHEMBL27400979 | 0.82 | POLB (0.49) | GABBR2GABBR1CYP2C9KMT2ALMNA |
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 |