Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.48 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
| ▸ | F7 | P08709 | 1/20 | 0.47 |
| ▸ | F3 | P13726 | 1/20 | 0.47 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.45 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.45 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.45 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.45 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.45 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.45 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | CPT1A | P50416 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5730676 | 0.90 | F7 (0.56) | POLBDUSP3PTPN5PTPN11F7 | |
| Dimethylformamide SCHEMBL27794949 | 0.83 | MPO (0.48) | SLC6A4GPR84MTNR1AMTNR1BHTR2A | |
| Dimethylformamide SCHEMBL27597593 | 0.80 | SLC22A6 (0.46) | NR4A2GPR84HSD17B10HTR2A | |
| SCHEMBL5729731 | 0.80 | POLB (0.52) | POLBDUSP3PTPN5PTPN11F7 | |
| SCHEMBL21596979 | 0.77 | GPR84 (0.50) | POLBDUSP3PTPN5PTPN11F7 | |
| SCHEMBL29290918 | 0.71 | GPR84 (0.50) | POLBDUSP3PTPN5PTPN11F7 | |
| Sulfuric Acid SCHEMBL28033719 | 0.71 | F7 (0.56) | POLBDUSP3PTPN5PTPN11F7 | |
| SCHEMBL29819744 | 0.70 | POLB (0.66) | POLBDUSP3PTPN5PTPN11F7 | |
| Dimethylformamide SCHEMBL27616463 | 0.70 | AKR1B1 (0.46) | F7F3PYGL | |
| Dimethylformamide SCHEMBL27786252 | 0.69 | CA1 (0.53) | POLBHSD17B10HTR2A |
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-100378095-C | Substituted indoles as alpha-1 agonists | HOFFMANN LA ROCHE (CH) | 2008-04-02 | — | — | CN | disclosed |
| CN-1628113-A | Substituted indoles as alpha-1 agonists | HOFFMANN LA ROCHE (CH) | 2005-06-15 | — | — | CN | disclosed |