Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.45 |
| ▸ | WDR5 | P61964 | 2/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 5/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 5/20 | 0.43 |
| ▸ | CDK9 | P50750 | 3/20 | 0.42 |
| ▸ | KIT | P10721 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29803799 | 1.00 | NAMPT (0.47) | NAMPTPDK4WDR5JAK1GRM5 | |
| SCHEMBL24671091 | 0.89 | NAMPT (0.47) | NAMPTPDK4JAK1GRM5GRM1 | |
| SCHEMBL29803594 | 0.89 | NAMPT (0.47) | NAMPTPDK4JAK1GRM5GRM1 | |
| SCHEMBL29803262 | 0.89 | NAMPT (0.46) | NAMPTPDK4JAK1GRM5GRM1 | |
| SCHEMBL24670587 | 0.89 | NAMPT (0.46) | NAMPTPDK4JAK1GRM5GRM1 | |
| SCHEMBL29803366 | 0.88 | WDR5 (0.49) | NAMPTPDK4WDR5JAK1GRM5 | |
| SCHEMBL24669339 | 0.86 | NAMPT (0.52) | NAMPTPDK4WDR5JAK1GRM5 | |
| SCHEMBL29803696 | 0.86 | NAMPT (0.52) | NAMPTPDK4WDR5JAK1GRM5 | |
| SCHEMBL24670476 | 0.86 | NAMPT (0.49) | NAMPTPDK4WDR5JAK1GRM5 | |
| SCHEMBL29803259 | 0.86 | NAMPT (0.49) | NAMPTPDK4WDR5JAK1GRM5 |
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 |