Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 2/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 2/20 | 0.36 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.35 |
| ▸ | CDK9 | P50750 | 2/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | TLK2 | Q86UE8 | 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 | |
|---|---|---|---|---|
| SCHEMBL24670483 | 0.94 | ULK1 (0.41) | ULK1MAPKAPK2ERN1HTR6NAMPT | |
| Trifluoroacetic Acid SCHEMBL29803754 | 0.89 | MAPKAPK2 (0.46) | ULK1MAPKAPK2HTR6NAMPTP2RY14 | |
| Trifluoroacetic Acid SCHEMBL29803428 | 0.88 | ULK1 (0.40) | ULK1MAPKAPK2NAMPTP2RY14PDE3B | |
| Trifluoroacetic Acid SCHEMBL29803840 | 0.84 | MAPT (0.39) | ERN1HTR6WDR5 | |
| Trifluoroacetic Acid SCHEMBL29803526 | 0.83 | CCNT1 (0.46) | ERN1HTR6NAMPTWDR5P2RY14 | |
| SCHEMBL24669231 | 0.82 | MAPKAPK2 (0.52) | ULK1MAPKAPK2NAMPTHTR2CCHEK1 | |
| Trifluoroacetic Acid SCHEMBL29803620 | 0.81 | MAPKAPK2 (0.43) | MAPKAPK2ERN1HTR6NAMPTWDR5 | |
| Trifluoroacetic Acid SCHEMBL29803720 | 0.81 | CCNT1 (0.41) | ERN1HTR6WDR5PDE3BPDE3A | |
| Trifluoroacetic Acid SCHEMBL29803744 | 0.81 | ERN1 (0.40) | MAPKAPK2ERN1HTR6NAMPTWDR5 | |
| SCHEMBL24670468 | 0.80 | QDPR (0.44) | ULK1MAPKAPK2NAMPTCCNT1CDK9 |
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 |