Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 6/20 | 0.38 |
| ▸ | QDPR | P09417 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | ULK1 | O75385 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL24669925 | 0.94 | MAPKAPK2 (0.48) | MAPKAPK2NAMPTP2RY14HTR6HTR2C | |
| Trifluoroacetic Acid SCHEMBL29803296 | 0.90 | MAPKAPK2 (0.44) | MAPKAPK2NAMPTP2RY14HTR6HTR2C | |
| Trifluoroacetic Acid SCHEMBL29803413 | 0.87 | PTPN1 (0.47) | MAPKAPK2NAMPTP2RY14QDPRPTPN1 | |
| SCHEMBL24669202 | 0.82 | MAPKAPK2 (0.49) | MAPKAPK2NAMPTHTR6HTR2CQDPR | |
| Trifluoroacetic Acid SCHEMBL29803754 | 0.81 | MAPKAPK2 (0.46) | MAPKAPK2NAMPTP2RY14HTR6HTR2C | |
| SCHEMBL24670491 | 0.78 | MAPKAPK2 (0.48) | MAPKAPK2NAMPTQDPRPTPN1 | |
| Trifluoroacetic Acid SCHEMBL29803252 | 0.78 | ALDH1A1 (0.42) | NAMPT | |
| Trifluoroacetic Acid SCHEMBL29803774 | 0.77 | MAPKAPK2 (0.43) | MAPKAPK2NAMPTP2RY14HTR6HTR2C | |
| Trifluoroacetic Acid SCHEMBL29803719 | 0.77 | ULK1 (0.42) | MAPKAPK2NAMPTP2RY14HTR6HTR2C | |
| SCHEMBL29803538 | 0.77 | LMNA (0.45) | P2RY14HTR6HTR2CQDPRSIGMAR1 |
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 |