Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9328423 | 0.81 | SIGMAR1 (0.50) | SIGMAR1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7456355 | 0.81 | SIGMAR1 (0.40) | SIGMAR1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14491045 | 0.79 | TRPA1 (0.56) | SIGMAR1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5171350 | 0.79 | SIGMAR1 (0.41) | SIGMAR1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7332195 | 0.79 | SIGMAR1 (0.41) | SIGMAR1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5169753 | 0.79 | SIGMAR1 (0.41) | SIGMAR1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5168408 | 0.79 | SIGMAR1 (0.41) | SIGMAR1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14491043 | 0.79 | TRPA1 (0.56) | SIGMAR1OPRK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7296822 | 0.79 | CYP1A2 (0.48) | SIGMAR1HPGDNPSR1CYP1A2ALPI | |
| SCHEMBL5171075 | 0.79 | SIGMAR1 (0.41) | SIGMAR1OPRK1SLC6A2SLC6A4SLC6A3 |
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-6423871-B1 | REACTING AN ELECTROPHILIC COMPOUND WITH PRIMARY AMINE IN ANHYDROUS SOLVENT | UNIVERSITY OF SOUTH FLORIDA | 2002-07-23 | — | — | US | disclosed |