Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20928227 | 0.88 | SLC6A3 (0.53) | ESR1ESR2MAPTHSD17B1HSD17B2 | |
| SCHEMBL20928414 | 0.82 | NPC1 (0.42) | KDM4ENPC1POLBMAPTRAB9A | |
| SCHEMBL30361685 | 0.80 | L3MBTL1 (0.59) | KDM4EPOLBL3MBTL1MEN1KMT2A | |
| SCHEMBL268963 | 0.80 | L3MBTL1 (0.59) | KDM4EPOLBL3MBTL1MEN1KMT2A | |
| SCHEMBL20928200 | 0.77 | ALDH1A1 (0.47) | KDM4EL3MBTL1MEN1KMT2AMCL1 | |
| SCHEMBL20928074 | 0.75 | KDM4E (0.46) | KDM4ENPC1POLBMAPTRAB9A | |
| SCHEMBL20928428 | 0.75 | ESR1 (0.72) | ESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL5681860 | 0.72 | ESR1 (0.64) | ESR1ESR2KDM4ENPC1MAPT | |
| SCHEMBL7252300 | 0.72 | ACMSD (0.59) | NPC1MAPTRAB9AL3MBTL1MCL1 | |
| SCHEMBL689031 | 0.72 | HNF4A (0.62) | NPC1MAPTRAB9AL3MBTL1MEN1 |
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 |