Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.40 |
| ▸ | ITGAV | P06756 | 3/20 | 0.40 |
| ▸ | WNT3A | P56704 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | ULK1 | O75385 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24669649 | 0.93 | MAPKAPK2 (0.50) | MAPKAPK2WNT3ANAMPTHTR2CMLNR | |
| Trifluoroacetic Acid SCHEMBL29803447 | 0.85 | MAPKAPK2 (0.41) | MAPKAPK2ITGB3ITGB1ITGA5ITGAV | |
| SCHEMBL29803255 | 0.78 | MAPKAPK2 (0.56) | MAPKAPK2NAMPTSLC2A1HTR2CSIGMAR1 | |
| SCHEMBL24892281 | 0.78 | MAPKAPK2 (0.56) | MAPKAPK2NAMPTSLC2A1HTR2CSIGMAR1 | |
| SCHEMBL24891989 | 0.78 | WNT3A (0.52) | MAPKAPK2WNT3ANAMPTSLC2A1PLAU | |
| SCHEMBL24671037 | 0.77 | MAPKAPK2 (0.46) | MAPKAPK2WNT3ANAMPTPLAU | |
| SCHEMBL24891932 | 0.77 | MAPKAPK2 (0.52) | MAPKAPK2WNT3ANAMPTMLNRPLAU | |
| SCHEMBL24891661 | 0.77 | MAPKAPK2 (0.52) | MAPKAPK2WNT3ANAMPTMLNRPLAU | |
| Trifluoroacetic Acid SCHEMBL29803567 | 0.75 | SLC6A3 (0.40) | MAPKAPK2ITGB3ITGB1ITGA5ITGAV | |
| Trifluoroacetic Acid SCHEMBL29803685 | 0.75 | MAPKAPK2 (0.56) | MAPKAPK2NAMPTSLC2A1 |
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 |