Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TET2 | Q6N021 | 4/20 | 0.39 |
| ▸ | CCR1 | P32246 | 3/20 | 0.39 |
| ▸ | CCR5 | P51681 | 3/20 | 0.39 |
| ▸ | CCR8 | P51685 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22326639 | 0.85 | TET2 (0.56) | TET2CCR1CCR5CCR8IDO1 | |
| SCHEMBL20928236 | 0.78 | CCR1 (0.52) | CCR1CCR5CCR8ALDH1A1MEN1 | |
| SCHEMBL23763291 | 0.72 | CCR1 (0.38) | TET2CCR1CCR5CCR8SMN1; SMN2 | |
| SCHEMBL21064338 | 0.72 | CYP1A2 (0.39) | ALDH1A1KDM4ECYP1A2NPC1 | |
| SCHEMBL24121697 | 0.72 | CCR1 (0.42) | TET2CCR1CCR5CCR8IDO1 | |
| SCHEMBL13486493 | 0.72 | KDM4E (0.44) | CCR1CCR5CCR8ALDH1A1MEN1 | |
| SCHEMBL25191210 | 0.70 | IDO1 (0.41) | TET2CCR1CCR5CCR8IDO1 | |
| SCHEMBL22326650 | 0.69 | CCR1 (0.42) | TET2CCR1CCR5CCR8KDM4E | |
| SCHEMBL7681923 | 0.69 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL17423371 | 0.67 | ALDH1A1 (0.52) | CCR1CCR5CCR8ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019076343-A1 | PD-1/PD-L1 SMALL-MOLECULE INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海长森药业有限公司 | 2019-04-25 | — | — | WO | disclosed |