Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.31 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.30 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.30 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.30 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.30 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15157184 | 0.79 | HTR1D (0.38) | BACE1IRAK4HTR1DIKBKETBK1 | |
| SCHEMBL30432645 | 0.79 | HTR1D (0.38) | BACE1IRAK4HTR1DIKBKETBK1 | |
| SCHEMBL24196216 | 0.75 | PRKAB2 (0.39) | HTR1DIKBKETBK1DHFRMAPK1 | |
| SCHEMBL14183095 | 0.75 | TDP1 (0.41) | HTR1DIKBKETBK1DHFRSOS1 | |
| SCHEMBL14729556 | 0.71 | ALDH1A1 (0.41) | HTR1DIKBKETBK1DHFRMAPK1 | |
| SCHEMBL17374756 | 0.71 | ALDH1A1 (0.41) | HTR1DIKBKETBK1DHFRSOS1 | |
| SCHEMBL3314819 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL4766178 | 0.71 | TUBB4A (0.50) | — | |
| SCHEMBL18534770 | 0.70 | BACE1 (0.40) | BACE1ESR2KCNH2HRH3 | |
| SCHEMBL252082 | 0.69 | SLC18A3 (0.43) | HTR1DIKBKETBK1DHFRMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004103367-A1 | BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATES TO THE ADENOSINE A2A RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-02 | — | — | WO | disclosed |