Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.50 |
| ▸ | GRM1 | Q13255 | 9/20 | 0.48 |
| ▸ | GRM5 | P41594 | 8/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 1/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 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 | |
|---|---|---|---|---|
| SCHEMBL18843558 | 0.87 | PDK4 (0.50) | PDK4GRM1GRM5HTR6JAK1 | |
| SCHEMBL21403965 | 0.87 | PDK4 (0.50) | PDK4GRM1GRM5HTR6JAK1 | |
| SCHEMBL1771022 | 0.86 | PDK4 (0.51) | PDK4GRM1GRM5HTR6JAK1 | |
| SCHEMBL24670953 | 0.86 | PDK4 (0.51) | PDK4GRM1GRM5HTR6JAK1 | |
| SCHEMBL24670855 | 0.83 | PDK4 (0.53) | PDK4GRM1GRM5HTR6JAK1 | |
| SCHEMBL19701842 | 0.83 | PDK4 (0.53) | PDK4GRM1GRM5HTR6JAK1 | |
| SCHEMBL1771697 | 0.83 | PDK4 (0.48) | PDK4GRM1GRM5HTR6JAK1 | |
| SCHEMBL30439968 | 0.82 | GRM1 (0.50) | PDK4GRM1GRM5HTR6JAK1 | |
| SCHEMBL21045699 | 0.82 | GRM1 (0.50) | PDK4GRM1GRM5HTR6JAK1 | |
| SCHEMBL29197044 | 0.82 | PDK4 (0.49) | PDK4GRM1GRM5HTR6JAK1 |
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-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |