Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | KMO | O15229 | 3/20 | 0.50 |
| ▸ | CTRC | Q99895 | 3/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RPA1 | P27694 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29961510 | 1.00 | MCL1 (0.51) | MCL1KMOCTRCADORA3ABCG2 | |
| SCHEMBL21001267 | 0.89 | MCL1 (0.61) | MCL1KMOCTRCADORA3KDM4E | |
| SCHEMBL29020197 | 0.82 | MCL1 (0.55) | MCL1KMOCTRCADORA3KDM4E | |
| SCHEMBL18010659 | 0.81 | ABCG2 (0.59) | CTRCABCG2KDM4ELMNAMAPT | |
| SCHEMBL29962056 | 0.78 | KDM4E (0.62) | MCL1KMOCTRCADORA3KDM4E | |
| SCHEMBL29020194 | 0.78 | KDM4E (0.62) | MCL1KMOCTRCADORA3KDM4E | |
| SCHEMBL34470953 | 0.78 | MCL1 (0.60) | MCL1KMOCTRCADORA3KDM4E | |
| SCHEMBL29020139 | 0.78 | KMO (0.56) | MCL1KMOCTRCADORA3KDM4E | |
| SCHEMBL29961681 | 0.78 | KMO (0.56) | MCL1KMOCTRCADORA3KDM4E | |
| SCHEMBL31123027 | 0.78 | CHEK1 (0.50) | MYCSLC22A12 |
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 |