Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28868553 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TDP1KDM4EPDCD1CD274 | |
| SCHEMBL28868560 | 0.86 | PDCD1 (0.46) | ALDH1A1KDM4EPDCD1CD274KMT2A | |
| SCHEMBL30021389 | 0.84 | CYP2D6 (0.49) | ALDH1A1TDP1KDM4EKMT2AL3MBTL1 | |
| SCHEMBL28868541 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CD274L3MBTL1 | |
| SCHEMBL28868545 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CD274L3MBTL1 | |
| SCHEMBL23694617 | 0.80 | KDM4E (0.58) | ALDH1A1TDP1KDM4EPDCD1CD274 | |
| SCHEMBL31004325 | 0.79 | CD274 (0.46) | ALDH1A1KDM4EPDCD1CD274KMT2A | |
| SCHEMBL28957070 | 0.79 | CD274 (0.47) | ALDH1A1KDM4EPDCD1CD274SMN1; SMN2 | |
| SCHEMBL28868529 | 0.79 | PDCD1 (0.52) | ALDH1A1TDP1KDM4EPDCD1CD274 | |
| SCHEMBL24771407 | 0.77 | PDCD1 (0.53) | ALDH1A1TDP1KDM4EPDCD1CD274 |
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 |