Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28868529 | 0.80 | PDCD1 (0.52) | SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1 | |
| SCHEMBL13956308 | 0.69 | TP53 (0.47) | SMN1; SMN2ALDH1A1CYP2C19KDM4ELMNA | |
| SCHEMBL13021517 | 0.68 | TP53 (0.46) | SMN1; SMN2ALDH1A1KMT2AMEN1CYP2C19 | |
| SCHEMBL28868560 | 0.67 | PDCD1 (0.46) | SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1 | |
| SCHEMBL7283908 | 0.66 | TP53 (0.50) | SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1 | |
| SCHEMBL926700 | 0.66 | BCHE (0.50) | SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL4018974 | 0.64 | SMN1; SMN2 (0.61) | SMN1; SMN2L3MBTL1KMT2AMEN1KDM4E | |
| SCHEMBL17262673 | 0.64 | KMT2A (0.50) | SMN1; SMN2ALDH1A1KMT2AMEN1PDCD1 | |
| SCHEMBL2794872 | 0.64 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1KDM4EMAPT | |
| SCHEMBL14205445 | 0.63 | ALDH1A1 (0.64) | SMN1; SMN2L3MBTL1ALDH1A1KDM4ELMNA |
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-115232109-A | PD-1/PD-L1 small molecule inhibitor and application thereof in medicines | 广东东阳光药业有限公司 | 2022-10-25 | — | — | CN | disclosed |