Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 5/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.37 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27317342 | 1.00 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL27317554 | 1.00 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL27317248 | 0.83 | HTT (0.41) | CYP11B2CYP11B1HTTPIP4K2ACYP1A2 | |
| SCHEMBL27317245 | 0.81 | HTT (0.40) | CYP11B2CYP11B1HTTPIP4K2ACYP1A2 | |
| SCHEMBL29875062 | 0.80 | ADRA2A (0.44) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL2607435 | 0.80 | ADRA2A (0.44) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL27234578 | 0.79 | PRKCZ (0.40) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL10399086 | 0.78 | ALDH1A1 (0.50) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL27317358 | 0.78 | CYP11B1 (0.37) | CYP11B2CYP11B1SLC22A12 | |
| SCHEMBL27317664 | 0.78 | CYP11B2 (0.37) | CYP11B2CYP11B1SLC22A12 |
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-2024102986-A2 | SARS-COV-2 MPRO INHIBITORS | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2024-05-16 | — | — | WO | disclosed |