Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.53 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.50 |
| ▸ | CTRC | Q99895 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29962056 | 1.00 | KDM4E (0.62) | KDM4EMCL1ADORA3PLA2G2ATP53 | |
| SCHEMBL2928253 | 0.89 | MCL1 (0.66) | KDM4EMCL1ADORA3MAPTADORA2B | |
| SCHEMBL21001267 | 0.89 | MCL1 (0.61) | KDM4EMCL1ADORA3KMOCTRC | |
| SCHEMBL15383823 | 0.85 | MCL1 (0.65) | KDM4EMCL1PLA2G2ATP53MAPT | |
| SCHEMBL29020197 | 0.82 | MCL1 (0.55) | KDM4EMCL1ADORA3MAPTKMO | |
| SCHEMBL22391758 | 0.80 | MAPT (0.47) | KDM4EADORA3PLA2G2AMAPTADORA2B | |
| SCHEMBL21004859 | 0.79 | AHR (0.57) | KDM4EADORA3PLA2G2ATP53MAPT | |
| SCHEMBL21004858 | 0.79 | AHR (0.57) | KDM4EADORA3PLA2G2ATP53MAPT | |
| SCHEMBL29020146 | 0.78 | MCL1 (0.51) | KDM4EMCL1ADORA3MAPTKMO | |
| SCHEMBL29961510 | 0.78 | MCL1 (0.51) | KDM4EMCL1ADORA3MAPTKMO |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115093400-B | AhR inhibitor, application and preparation method thereof | 北京华森英诺生物科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-115093400-A | AhR inhibitor and application and preparation method thereof | 重庆华森制药股份有限公司 | 2022-09-23 | — | — | CN | disclosed |