Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 7/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 7/20 | 0.43 |
| ▸ | CDK7 | P50613 | 1/20 | 0.43 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.43 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 2/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24671280 | 0.90 | NAMPT (0.51) | NAMPTPDK4GRM5GRM1CDK7 | |
| SCHEMBL29803281 | 0.87 | NAMPT (0.49) | NAMPTGRM5GRM1CDK7CDK13 | |
| SCHEMBL24670975 | 0.85 | NAMPT (0.39) | NAMPTCDK7CDK13CDK12WNT3A | |
| SCHEMBL24671366 | 0.85 | NAMPT (0.39) | NAMPTCDK7CDK13CDK12WNT3A | |
| SCHEMBL29803414 | 0.85 | NAMPT (0.53) | NAMPTPDK4GRM5GRM1CDK7 | |
| SCHEMBL24669352 | 0.85 | NAMPT (0.53) | NAMPTPDK4GRM5GRM1CDK7 | |
| SCHEMBL24892052 | 0.85 | NAMPT (0.61) | NAMPTPDK4GRM5GRM1CDK7 | |
| SCHEMBL29803738 | 0.85 | NAMPT (0.54) | NAMPTPDK4GRM5GRM1CDK7 | |
| SCHEMBL24670976 | 0.84 | TMPRSS2 (0.41) | NAMPTCDK9 | |
| SCHEMBL24671373 | 0.84 | NAMPT (0.53) | NAMPTPDK4GRM5GRM1CDK7 |
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 2 patents. 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 |
| 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 |