Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 2/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2090888 | 0.82 | CHRM2 (0.58) | CHRM2CHRM1CHRM3DAOGRIN2B | |
| SCHEMBL1687455 | 0.82 | TSHR (0.53) | SLC6A4TSHRDAOGRIN2BALDH1A1 | |
| SCHEMBL8099663 | 0.82 | MTNR1A (0.49) | GRIN2B | |
| SCHEMBL8514972 | 0.81 | SLC6A4 (0.46) | SLC6A4TSHRDAOTRPV1CYP11B1 | |
| SCHEMBL9060027 | 0.80 | TSHR (0.51) | SLC6A4TSHRDAOGRIN2BALDH1A1 | |
| SCHEMBL14201720 | 0.79 | BACE1 (0.47) | BACE1DAOMRGPRX4 | |
| SCHEMBL8092697 | 0.78 | MTNR1A (0.54) | — | |
| SCHEMBL16770891 | 0.78 | SLC6A4 (0.58) | SLC6A4BACE1TSHRMRGPRX4GRIN2B | |
| SCHEMBL30370406 | 0.78 | SLC6A4 (0.46) | SLC6A4DAOMRGPRX4HTR2CCYP11B1 | |
| SCHEMBL2092054 | 0.78 | SLC6A4 (0.56) | SLC6A4TSHRDAOGRIN2BCYP11B1 |
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-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | disclosed |