Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 10/20 | 0.40 |
| ▸ | ACE | P12821 | 10/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.38 |
| ▸ | PSAT1 | Q9Y617 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL598698 | 0.89 | ALDH1A1 (0.43) | ALDH1A1PKMMMEACEP2RX7 | |
| SCHEMBL1908585 | 0.89 | ALDH1A1 (0.43) | ALDH1A1PKMMMEACEP2RX7 | |
| SCHEMBL22996235 | 0.89 | ALDH1A1 (0.43) | ALDH1A1PKMMMEACEP2RX7 | |
| SCHEMBL28389111 | 0.87 | MME (0.53) | ALDH1A1PKMMMEACE | |
| SCHEMBL28412302 | 0.87 | MME (0.53) | ALDH1A1PKMMMEACE | |
| SCHEMBL28390960 | 0.86 | MME (0.38) | MMEACEPDCD1CD274MAPT | |
| SCHEMBL20583257 | 0.77 | GPR88 (0.49) | MMEACEPDCD1CD274MAPT | |
| SCHEMBL20583259 | 0.77 | GPR88 (0.49) | MMEACEPDCD1CD274MAPT | |
| SCHEMBL20583255 | 0.77 | GPR88 (0.49) | MMEACEPDCD1CD274MAPT | |
| SCHEMBL30300760 | 0.76 | MME (0.41) | MMEACE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107216277-B | Preparation method of LCZ696 medicine impurity | 东南大学 | 2020-04-24 | — | — | CN | claimed |
| CN-107216277-B | Preparation method of LCZ696 medicine impurity | 东南大学 | 2020-04-24 | — | — | CN | disclosed |