Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | QDPR | P09417 | 1/20 | 0.37 |
| ▸ | ULK1 | O75385 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 5/20 | 0.36 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24671230 | 0.93 | NAMPT (0.51) | PTPN11PTPN1NAMPTSLC6A3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL29803567 | 0.88 | SLC6A3 (0.40) | PTPN11PTPN1NAMPTSLC6A3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL29803386 | 0.82 | MAPKAPK2 (0.46) | PTPN11PTPN1NAMPTKCNH2MAPKAPK2 | |
| SCHEMBL24669893 | 0.82 | SLC6A3 (0.43) | PTPN11PTPN1NAMPTSLC6A3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL29803774 | 0.81 | MAPKAPK2 (0.43) | NAMPTMAPKAPK2QDPRWNT3AP2RY14 | |
| Trifluoroacetic Acid SCHEMBL29803754 | 0.81 | MAPKAPK2 (0.46) | NAMPTMAPKAPK2QDPRULK1P2RY14 | |
| SCHEMBL24670471 | 0.80 | SLC6A3 (0.42) | PTPN11PTPN1NAMPTSLC6A3KCNH2 | |
| Trifluoroacetic Acid SCHEMBL29803352 | 0.78 | PTPN11 (0.43) | PTPN11PTPN1NAMPT | |
| Trifluoroacetic Acid SCHEMBL29803510 | 0.76 | MAPKAPK2 (0.53) | NAMPTMAPKAPK2QDPRWNT3AP2RY14 | |
| SCHEMBL24669890 | 0.76 | ULK1 (0.37) | PTPN1NAMPTSLC6A3KCNH2TAAR1 |
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 |