Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 5/20 | 0.42 |
| ▸ | PPARA | Q07869 | 5/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28528491 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL2348573 | 0.91 | MAPT (0.56) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL2348575 | 0.91 | MAPT (0.56) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL20835831 | 0.89 | PPARA (0.52) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL20835832 | 0.89 | PPARA (0.52) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL2343147 | 0.87 | ALDH1A1 (0.74) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL2343150 | 0.87 | ALDH1A1 (0.74) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL28528396 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL2583795 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL2345494 | 0.85 | ALDH1A1 (0.59) | ALDH1A1MAPTKDM4EGAAPKM |
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-109476639-B | Pyrrolidine derivatives | 橘生药品工业股份有限公司 | 2021-02-26 | — | — | CN | disclosed |