Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | TMPRSS2 | O15393 | 6/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29803921 | 1.00 | NR1H2 (0.53) | NR1H2ESR2NPC1RAB9ATMPRSS2 | |
| SCHEMBL24671423 | 0.92 | PIK3CA (0.48) | NR1H2ESR2NPC1RAB9ATMPRSS2 | |
| SCHEMBL29803258 | 0.92 | PIK3CA (0.48) | NR1H2ESR2NPC1RAB9ATMPRSS2 | |
| SCHEMBL29803702 | 0.88 | NR1H2 (0.57) | NR1H2ESR2NPC1RAB9ATMPRSS2 | |
| SCHEMBL24670768 | 0.88 | NR1H2 (0.57) | NR1H2ESR2NPC1RAB9ATMPRSS2 | |
| SCHEMBL24670815 | 0.87 | NR1H2 (0.54) | NR1H2ESR2NPC1RAB9ATMPRSS2 | |
| SCHEMBL29803541 | 0.87 | NR1H2 (0.54) | NR1H2ESR2NPC1RAB9ATMPRSS2 | |
| SCHEMBL24670163 | 0.84 | NAMPT (0.51) | NR1H2ESR2NPC1RAB9ATMPRSS2 | |
| SCHEMBL29803391 | 0.84 | NAMPT (0.51) | NR1H2ESR2NPC1RAB9ATMPRSS2 | |
| SCHEMBL29803301 | 0.83 | ESR2 (0.55) | NR1H2ESR2NPC1RAB9ATMPRSS2 |
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 |