Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL20928068 | 0.88 | SLC6A3 (0.53) | KDM4EHSD11B1HDAC6L3MBTL1ALDH1A1 | |
| SCHEMBL268963 | 0.80 | L3MBTL1 (0.59) | KDM4EPOLBKMT2AGAAL3MBTL1 | |
| SCHEMBL30361685 | 0.80 | L3MBTL1 (0.59) | KDM4EPOLBKMT2AGAAL3MBTL1 | |
| SCHEMBL20928200 | 0.77 | ALDH1A1 (0.47) | KDM4EKMT2AENPP3L3MBTL1MCL1 | |
| SCHEMBL20928146 | 0.75 | KMT2A (0.44) | KDM4EPOLBKMT2AENPP3NPC1 | |
| SCHEMBL20928101 | 0.75 | ESR1 (0.45) | KDM4EPOLBKMT2AENPP3NPC1 | |
| SCHEMBL20928071 | 0.75 | SHBG (0.59) | KDM4EKMT2ANPC1GAAMAOB | |
| SCHEMBL20928135 | 0.75 | NPC1 (0.43) | KDM4EPOLBHSD11B1KMT2ANPC1 | |
| SCHEMBL20928137 | 0.74 | KDM4E (0.41) | KDM4EPOLBHSD11B1KMT2ANPC1 | |
| SCHEMBL7252300 | 0.72 | ACMSD (0.59) | NPC1RAB9AL3MBTL1MCL1ALDH1A1 |
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 |