Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 7/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.40 |
| ▸ | SCN1A | P35498 | 3/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.36 |
| ▸ | HRH1 | P35367 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3344813 | 0.75 | GRIN2D (0.38) | TSHRMEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL3344814 | 0.75 | MEN1 (0.34) | TSHRMEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL3910230 | 0.71 | TSHR (0.62) | CHRM2SLC6A2SLC6A4SCN1ASCN2A | |
| SCHEMBL3300882 | 0.70 | ADORA2A (0.66) | — | |
| SCHEMBL3304121 | 0.70 | ADORA2A (0.46) | MEN1GAAKMT2ASMN1; SMN2LMNA | |
| SCHEMBL13391754 | 0.68 | ADORA2A (0.52) | — | |
| Hydrochloric Acid SCHEMBL3300899 | 0.68 | ADORA2A (0.51) | — | |
| SCHEMBL13182065 | 0.68 | IMPDH2 (0.48) | CHRM2SLC6A2SLC6A4SCN1ASCN2A | |
| SCHEMBL3299360 | 0.67 | L3MBTL1 (0.42) | TSHRMEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL290075 | 0.66 | SLC6A2 (0.67) | CHRM2SLC6A2SLC6A4SCN1ASCN2A |
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-2010045012-A1 | HETEROARYL AND PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2010-04-22 | — | — | WO | disclosed |