Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 7/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | ESR1 | P03372 | 1/20 | 0.66 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.66 |
| ▸ | APEX1 | P27695 | 1/20 | 0.66 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.66 |
| ▸ | RECQL | P46063 | 1/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.66 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
| ▸ | PARP1 | P09874 | 6/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4728317 | 0.85 | POLB (0.73) | POLBTDP1KDM4EESR1NR4A1 | |
| SCHEMBL16907880 | 0.83 | POLB (0.70) | POLBTDP1KDM4EESR1NR4A1 | |
| SCHEMBL2116520 | 0.80 | POLB (1.00) | POLBTDP1KDM4EESR1NR4A1 | |
| SCHEMBL835316 | 0.75 | PARP1 (0.79) | POLBTDP1KDM4EESR1NR4A1 | |
| SCHEMBL22291931 | 0.74 | NPC1 (0.68) | KDM4ETP53MAPTHTTNPC1 | |
| SCHEMBL6675973 | 0.72 | NPC1 (0.40) | POLBTDP1KDM4EESR1NR4A1 | |
| SCHEMBL16907926 | 0.72 | POLB (0.56) | POLBTDP1KDM4EESR1NR4A1 | |
| SCHEMBL16907925 | 0.71 | POLB (0.65) | POLBTDP1KDM4EESR1NR4A1 | |
| SCHEMBL835757 | 0.70 | PARP1 (0.74) | POLBTDP1KDM4EESR1NR4A1 | |
| SCHEMBL20096495 | 0.70 | HDAC11 (0.71) | HDAC11 |
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-2020124500-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 江苏凯迪恩医药科技有限公司 | 2020-06-25 | — | — | WO | disclosed |