Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ERN1 | O75460 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29587853 | 1.00 | CCR1 (0.41) | CCR1CCR5CCR8TRIM24TRIM33 | |
| SCHEMBL1534375 | 0.79 | CA1 (0.46) | CCR1CCR5CCR8TRIM24TRIM33 | |
| SCHEMBL29953849 | 0.79 | CCR1 (0.42) | CCR1CCR5CCR8TRIM24TRIM33 | |
| SCHEMBL19641190 | 0.79 | CCR1 (0.42) | CCR1CCR5CCR8TRIM24TRIM33 | |
| SCHEMBL29936036 | 0.79 | CCR1 (0.42) | CCR1CCR5CCR8TRIM24TRIM33 | |
| SCHEMBL23803936 | 0.79 | CCR1 (0.42) | CCR1CCR5CCR8TRIM24TRIM33 | |
| SCHEMBL21834603 | 0.79 | CCR1 (0.42) | CCR1CCR5CCR8TRIM24TRIM33 | |
| SCHEMBL22715435 | 0.78 | CCR1 (0.41) | CCR1CCR5CCR8TRIM24TRIM33 | |
| SCHEMBL16054682 | 0.78 | ERN1 (0.49) | CCR1CCR5CCR8TRIM24TRIM33 | |
| SCHEMBL1461253 | 0.74 | TRIM24 (0.48) | CCR1CCR5CCR8TRIM24TRIM33 |
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-109863145-A | Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2019-06-07 | — | — | CN | disclosed |
| CN-108069976-A | A kind of nitrogenous macrocyclic compounds, its preparation method, pharmaceutical composition and application | 山东罗欣药业集团股份有限公司 | 2018-05-25 | — | — | CN | disclosed |