Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | QDPR | P09417 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 4/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 2/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29803405 | 0.93 | PTPN11 (0.47) | NAMPTPTPN11MAPKAPK2PTPN1SLC6A3 | |
| SCHEMBL24669893 | 0.88 | SLC6A3 (0.43) | NAMPTPTPN11MAPKAPK2PTPN1SLC6A3 | |
| SCHEMBL24670471 | 0.86 | SLC6A3 (0.42) | NAMPTPTPN11MAPKAPK2PTPN1SLC6A3 | |
| SCHEMBL24669890 | 0.82 | ULK1 (0.37) | NAMPTPTPN1SLC6A3KCNH2TAAR1 | |
| Trifluoroacetic Acid SCHEMBL29803567 | 0.81 | SLC6A3 (0.40) | NAMPTPTPN11MAPKAPK2PTPN1SLC6A3 | |
| SCHEMBL29803733 | 0.80 | MAPKAPK2 (0.52) | NAMPTPTPN11MAPKAPK2PTPN1KCNH2 | |
| SCHEMBL24671284 | 0.79 | MAPK1 (0.39) | NAMPTQDPRCCNT1CDK9 | |
| SCHEMBL24670407 | 0.78 | MAPKAPK2 (0.48) | NAMPTMAPKAPK2QDPRHTR2CSIGMAR1 | |
| SCHEMBL24669231 | 0.77 | MAPKAPK2 (0.52) | NAMPTMAPKAPK2QDPRHTR2CSIGMAR1 | |
| SCHEMBL24670573 | 0.77 | MAPKAPK2 (0.59) | NAMPTMAPKAPK2PTPN1QDPRHTR2C |
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 |