Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 5/20 | 0.36 |
| ▸ | GRM5 | P41594 | 4/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24671099 | 0.90 | PDK4 (0.38) | PDK4GRM1GRM5NAMPTJAK1 | |
| SCHEMBL24669345 | 0.90 | PDK4 (0.40) | PDK4GRM1GRM5NAMPTJAK1 | |
| SCHEMBL24891943 | 0.89 | MAPT (0.36) | PDK4NAMPTJAK1SCN9AGABRP | |
| SCHEMBL24671139 | 0.87 | NR1H2 (0.40) | PDK4GRM1GRM5NAMPTJAK1 | |
| SCHEMBL24670136 | 0.87 | NR1H2 (0.40) | PDK4GRM1GRM5NAMPTJAK1 | |
| SCHEMBL24669928 | 0.87 | NAMPT (0.44) | PDK4GRM1GRM5NAMPTALDH1A1 | |
| SCHEMBL27025892 | 0.83 | NAMPT (0.37) | PDK4GRM1GRM5NAMPTJAK1 | |
| SCHEMBL29803328 | 0.83 | NAMPT (0.40) | PDK4NAMPTJAK1ALDH1A1SCN9A | |
| SCHEMBL24670577 | 0.83 | PDK4 (0.39) | PDK4GRM1GRM5NAMPTJAK1 | |
| SCHEMBL24670620 | 0.83 | PDK4 (0.39) | PDK4GRM1GRM5NAMPTJAK1 |
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 |