Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11270890 | 0.81 | ADRA2B (0.55) | TSHRALDH1A1AOC3ADRA2BADRA2C | |
| SCHEMBL3331448 | 0.78 | SIGMAR1 (0.44) | TSHRALDH1A1AOC3SIGMAR1ADRA2B | |
| SCHEMBL615300 | 0.76 | BCHE (0.48) | TSHRALDH1A1AOC3SIGMAR1ADRA2B | |
| SCHEMBL45416 | 0.76 | SIGMAR1 (0.46) | TSHRALDH1A1AOC3SIGMAR1ADRA2B | |
| SCHEMBL28540834 | 0.75 | TSHR (0.45) | TSHRALDH1A1AOC3SIGMAR1ADRA2B | |
| SCHEMBL44025 | 0.75 | TSHR (0.41) | TSHRALDH1A1AOC3SIGMAR1ADRA2B | |
| SCHEMBL44989 | 0.75 | SIGMAR1 (0.41) | TSHRALDH1A1AOC3SIGMAR1ADRA2B | |
| SCHEMBL15070152 | 0.75 | CARM1 (0.42) | TSHRALDH1A1AOC3SIGMAR1ADRA2B | |
| SCHEMBL3635237 | 0.75 | TSHR (0.54) | TSHRALDH1A1AOC3SIGMAR1ADRA2B | |
| SCHEMBL15070151 | 0.74 | SIGMAR1 (0.41) | TSHRALDH1A1AOC3SIGMAR1ADRA2B |
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-2022035852-A1 | DECITABINE ANALOGS FOR IMMUNOLOGICAL AND ONCOLOGICAL THERAPY | THE JOHNS HOPKINS UNIVERSITY (US) | 2022-02-17 | — | — | WO | disclosed |