Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 4/20 | 0.60 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.55 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HTR6 | P50406 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3561484 | 0.93 | ACLY (0.65) | ACLYGRIK1GRIK2ALDH1A1HTR6 | |
| SCHEMBL28017010 | 0.87 | ACLY (0.61) | ACLYALDH1A1L3MBTL1CA12CA2 | |
| SCHEMBL28523374 | 0.87 | CA12 (0.60) | ACLYALDH1A1HTR6POLBL3MBTL1 | |
| SCHEMBL28016375 | 0.86 | ACLY (0.47) | ACLYGRIK1GRIK2ALDH1A1CA12 | |
| SCHEMBL28017014 | 0.83 | CA12 (0.69) | ACLYALDH1A1POLBL3MBTL1CA12 | |
| SCHEMBL3560088 | 0.83 | ACLY (0.63) | ACLYALDH1A1CA12CA2CA9 | |
| SCHEMBL14953597 | 0.83 | ACLY (0.60) | ACLYCA12CA2CA9 | |
| SCHEMBL28411702 | 0.83 | ACLY (0.60) | ACLYCA12CA2CA9LMNA | |
| SCHEMBL14953618 | 0.83 | ACLY (0.61) | ACLYCA12CA2CA9LMNA | |
| SCHEMBL3555665 | 0.81 | HTR6 (0.63) | ACLYGRIK1GRIK2HTR6POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104592086-A | Method for preparing indole compound through copper salt catalysis | UNIV TAIZHOU | 2015-05-06 | — | — | CN | claimed |
| CN-111285792-B | 2-substituted indole compound and preparation method thereof | 三峡大学 | 2023-05-02 | — | — | CN | disclosed |
| CN-111285792-A | 2-substituted indole compound and preparation method thereof | 三峡大学 | 2020-06-16 | — | — | CN | disclosed |
| CN-104592086-B | A kind of method that Benzazole compounds are prepared by mantoquita catalysis | 台州学院 | 2017-06-06 | — | — | CN | disclosed |
| CN-104592086-A | Method for preparing indole compound through copper salt catalysis | UNIV TAIZHOU | 2015-05-06 | — | — | CN | disclosed |