Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 3/20 | 0.36 |
| ▸ | GRM5 | P41594 | 5/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 5/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | EED | O75530 | 1/20 | 0.33 |
| ▸ | RBBP4 | Q09028 | 1/20 | 0.33 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.33 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24669347 | 0.90 | PDK4 (0.37) | PDK4CDK9GRM5GRM1NAMPT | |
| SCHEMBL24670577 | 0.89 | PDK4 (0.39) | PDK4CDK9GRM5GRM1NAMPT | |
| SCHEMBL24671224 | 0.88 | NR1H2 (0.39) | PDK4CDK9GRM5GRM1NAMPT | |
| SCHEMBL24669928 | 0.86 | NAMPT (0.44) | PDK4GRM5GRM1NAMPTALDH1A1 | |
| SCHEMBL24670284 | 0.84 | SCN9A (0.38) | PDK4CDK9GRM5GRM1NAMPT | |
| SCHEMBL27025875 | 0.83 | CDK9 (0.37) | PDK4CDK9GRM5GRM1NAMPT | |
| SCHEMBL27025948 | 0.83 | TRPV1 (0.39) | PDK4CDK9GRM5GRM1NAMPT | |
| SCHEMBL29803193 | 0.83 | NAMPT (0.40) | PDK4CDK9GRM5GRM1NAMPT | |
| SCHEMBL24670250 | 0.83 | GRM1 (0.36) | PDK4CDK9GRM5GRM1NAMPT | |
| SCHEMBL24670835 | 0.82 | WDR5 (0.38) | PDK4CDK9GRM5GRM1NAMPT |
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 |