Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31494749 | 0.80 | CSNK1E (0.45) | HPGDTRPA1TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL13622891 | 0.79 | TAAR1 (0.50) | HPGDTRPA1TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL14301469 | 0.78 | TRPA1 (0.50) | HPGDTRPA1TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL22811040 | 0.78 | TAAR1 (0.54) | HPGDTRPA1TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL10161457 | 0.78 | TAAR1 (0.54) | HPGDTRPA1TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL10793304 | 0.76 | TAAR1 (0.56) | HPGDTRPA1TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL13545160 | 0.76 | HPGD (0.54) | HPGDTRPA1TAAR1SIGMAR1CYP3A4 | |
| Hydrochloric Acid SCHEMBL11310547 | 0.76 | TRPA1 (0.47) | HPGDTRPA1TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL31112245 | 0.76 | HPGD (0.54) | HPGDTRPA1TAAR1SIGMAR1CYP3A4 | |
| SCHEMBL14951686 | 0.76 | SIGMAR1 (0.48) | TRPA1TAAR1SIGMAR1SLC18A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-20090286745-A1 | INHIBITION OF ALPHA-SYNUCLEIN AGGREGATION | ZAPALOID LIMITED | 2009-11-19 | — | — | US | disclosed |