Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | PMM2 | O15305 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.36 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28356006 | 0.85 | TDP1 (0.46) | TDP1HPGDGPR3CYP1A2L3MBTL1 | |
| SCHEMBL28512646 | 0.82 | TDP1 (0.42) | TDP1HPGDGPR3L3MBTL1ATM | |
| SCHEMBL28907137 | 0.82 | TDP1 (0.42) | TDP1HPGDKDM4EGPR3L3MBTL1 | |
| SCHEMBL28506836 | 0.82 | TDP1 (0.46) | TDP1HPGDKDM4EGPR3L3MBTL1 | |
| SCHEMBL28512211 | 0.81 | HPGD (0.43) | TDP1HPGDKDM4EGPR3CYP1A2 | |
| SCHEMBL1518886 | 0.80 | GPR3 (0.55) | TDP1HPGDKDM4EGPR3L3MBTL1 | |
| SCHEMBL11557192 | 0.79 | GABRA1 (0.53) | TDP1HPGDKDM4EGPR3CYP1A2 | |
| SCHEMBL11556925 | 0.79 | MAOB (0.43) | TDP1KDM4EGPR3CYP1A2GABRA1 | |
| SCHEMBL28521550 | 0.79 | KDM4E (0.41) | TDP1KDM4EGPR3CYP1A2GABRA1 | |
| SCHEMBL28907132 | 0.78 | TDP1 (0.43) | TDP1HPGDKDM4EGPR3L3MBTL1 |
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-110656346-B | Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device | 南京工业大学 | 2021-02-02 | — | — | CN | disclosed |
| CN-110656346-A | Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device | 南京工业大学 | 2020-01-07 | — | — | CN | disclosed |