Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 3/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | ULK1 | O75385 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL24670471 | 0.94 | SLC6A3 (0.42) | SLC6A3KCNH2TAAR1PTPN11PTPN1 | |
| Trifluoroacetic Acid SCHEMBL29803405 | 0.88 | PTPN11 (0.47) | SLC6A3KCNH2TAAR1PTPN11PTPN1 | |
| SCHEMBL24669893 | 0.86 | SLC6A3 (0.43) | SLC6A3KCNH2TAAR1PTPN11PTPN1 | |
| SCHEMBL24671230 | 0.81 | NAMPT (0.51) | SLC6A3KCNH2TAAR1PTPN11PTPN1 | |
| Trifluoroacetic Acid SCHEMBL29803632 | 0.80 | TP53 (0.39) | KCNH2PTPN11MAPKAPK2NAMPT | |
| Trifluoroacetic Acid SCHEMBL29803685 | 0.79 | MAPKAPK2 (0.56) | PTPN11PTPN1MAPKAPK2NAMPTSLC2A1 | |
| Trifluoroacetic Acid SCHEMBL29803447 | 0.76 | MAPKAPK2 (0.41) | MAPKAPK2WNT3AITGB3ITGB1ITGAV | |
| Trifluoroacetic Acid SCHEMBL29803290 | 0.75 | MAPKAPK2 (0.45) | MAPKAPK2WNT3ANAMPTULK1ITGB3 | |
| SCHEMBL24669890 | 0.75 | ULK1 (0.37) | SLC6A3KCNH2TAAR1PTPN1WNT3A | |
| Trifluoroacetic Acid SCHEMBL30182563 | 0.74 | HDAC3 (0.46) | HDAC1HDAC6ITGB3ITGB1ITGAV |
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 |