Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 2/20 | 0.36 |
| ▸ | HTR1F | P30939 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | CDK9 | P50750 | 5/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
| ▸ | CDK7 | P50613 | 1/20 | 0.31 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.31 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29803579 | 1.00 | JAK1 (0.36) | JAK1HTR1FSCN9ACDK9CCNT1 | |
| SCHEMBL24670919 | 1.00 | JAK1 (0.36) | JAK1HTR1FSCN9ACDK9CCNT1 | |
| SCHEMBL24670962 | 0.88 | CDK9 (0.37) | JAK1SCN9ACDK9CCNT1 | |
| SCHEMBL29803589 | 0.88 | CDK9 (0.37) | JAK1SCN9ACDK9CCNT1 | |
| SCHEMBL24670970 | 0.88 | CDK9 (0.37) | JAK1SCN9ACDK9CCNT1 | |
| SCHEMBL24669635 | 0.88 | GRM1 (0.37) | JAK1HTR1FSCN9ACDK9CCNT1 | |
| SCHEMBL24670319 | 0.88 | GRM1 (0.37) | JAK1HTR1FSCN9ACDK9CCNT1 | |
| SCHEMBL24671433 | 0.87 | NAMPT (0.45) | JAK1CDK9CCNT1NAMPT | |
| SCHEMBL29803578 | 0.87 | NAMPT (0.45) | JAK1CDK9CCNT1NAMPT | |
| SCHEMBL29803193 | 0.86 | NAMPT (0.40) | JAK1SCN9ACDK9NAMPTGRM5 |
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 |