Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | GRM1 | Q13255 | 10/20 | 0.45 |
| ▸ | GRM5 | P41594 | 9/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24670855 | 0.88 | PDK4 (0.53) | PDK4NR1H2HTR6GRM1GRM5 | |
| SCHEMBL13993115 | 0.86 | PDK4 (0.64) | PDK4HTR6GRM1GRM5JAK1 | |
| SCHEMBL29691225 | 0.86 | PDK4 (0.64) | PDK4HTR6GRM1GRM5JAK1 | |
| SCHEMBL21245850 | 0.85 | PDK4 (0.53) | PDK4NR1H2HTR6GRM1GRM5 | |
| SCHEMBL29744751 | 0.85 | PDK4 (0.54) | PDK4NR1H2HTR6GRM1GRM5 | |
| SCHEMBL6402391 | 0.85 | PDK4 (0.54) | PDK4NR1H2HTR6GRM1GRM5 | |
| SCHEMBL29744827 | 0.84 | PDK4 (0.55) | PDK4NR1H2HTR6GRM1GRM5 | |
| SCHEMBL1811363 | 0.84 | PDK4 (0.55) | PDK4NR1H2HTR6GRM1GRM5 | |
| SCHEMBL24629831 | 0.83 | PDK4 (0.54) | PDK4NR1H2HTR6GRM1GRM5 | |
| SCHEMBL31444034 | 0.83 | PDK4 (0.54) | PDK4NR1H2HTR6GRM1GRM5 |
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 |