Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28509989 | 0.87 | CA12 (0.51) | CA12CA2CA9KCNH2GRM5 | |
| SCHEMBL28355913 | 0.86 | NPC1 (0.50) | CA12CA2CA9KCNH2GRM5 | |
| SCHEMBL29700306 | 0.84 | ALDH1A1 (0.35) | KCNH2GRM5ALDH1A1MAPTMEN1 | |
| SCHEMBL14998080 | 0.84 | ALDH1A1 (0.35) | KCNH2GRM5ALDH1A1MAPTMEN1 | |
| SCHEMBL28510600 | 0.84 | L3MBTL1 (0.40) | CA12CA2CA9ALDH1A1MAPT | |
| SCHEMBL28355756 | 0.84 | GRM5 (0.44) | CA12CA2CA9KCNH2GRM5 | |
| SCHEMBL28353632 | 0.84 | LMNA (0.37) | CA12CA2CA9GRM5ALDH1A1 | |
| SCHEMBL28272577 | 0.82 | CA12 (0.61) | CA12CA2CA9KCNH2GRM5 | |
| SCHEMBL28359812 | 0.81 | FFAR1 (0.44) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL28458925 | 0.81 | APP (0.49) | KCNH2ALDH1A1MAPTMEN1KMT2A |
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 3 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-111675691-A | 3-ethylcyano benzothiophene compound and synthesis and application method thereof | 绍兴文理学院 | 2020-09-18 | — | — | 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 |