Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CPN1 | P15169 | 5/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 5/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1199676 | 1.00 | ALDH1A1 (0.55) | ALDH1A1TP53KDM4EGMNNLMNA | |
| SCHEMBL6544505 | 1.00 | ALDH1A1 (0.55) | ALDH1A1TP53KDM4EGMNNLMNA | |
| SCHEMBL5363001 | 1.00 | ALDH1A1 (0.55) | ALDH1A1TP53KDM4EGMNNLMNA | |
| SCHEMBL3920149 | 0.98 | ALDH1A1 (0.53) | ALDH1A1TP53KDM4EGMNNLMNA | |
| Hydrochloric Acid SCHEMBL6544493 | 0.98 | ALDH1A1 (0.53) | ALDH1A1TP53KDM4EGMNNLMNA | |
| Hydrochloric Acid SCHEMBL5368323 | 0.98 | ALDH1A1 (0.53) | ALDH1A1TP53KDM4EGMNNLMNA | |
| SCHEMBL4635154 | 0.98 | ALDH1A1 (0.52) | ALDH1A1TP53KDM4EGMNNLMNA | |
| SCHEMBL5324531 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL16666936 | 0.86 | CPN1 (0.44) | ALDH1A1TP53KDM4EGMNNLMNA | |
| SCHEMBL27501949 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TP53KDM4EGMNNLMNA |
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 |