Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.57 |
| ▸ | MELK | Q14680 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | TMPRSS2 | O15393 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.46 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29803702 | 1.00 | NR1H2 (0.57) | NR1H2MELKESR2TMPRSS2NPC1 | |
| SCHEMBL24670771 | 0.91 | L3MBTL3 (0.55) | NR1H2MELKESR2TMPRSS2NPC1 | |
| SCHEMBL29803472 | 0.91 | L3MBTL3 (0.55) | NR1H2MELKESR2TMPRSS2NPC1 | |
| SCHEMBL30182351 | 0.90 | L3MBTL3 (0.54) | MELKTMPRSS2NPC1RAB9AL3MBTL3 | |
| SCHEMBL24891736 | 0.90 | L3MBTL3 (0.54) | MELKTMPRSS2NPC1RAB9AL3MBTL3 | |
| SCHEMBL24670153 | 0.88 | NR1H2 (0.53) | NR1H2ESR2TMPRSS2NPC1RAB9A | |
| SCHEMBL29803522 | 0.88 | NR1H2 (0.53) | NR1H2ESR2TMPRSS2NPC1RAB9A | |
| SCHEMBL24670702 | 0.88 | NR1H2 (0.53) | NR1H2ESR2TMPRSS2NPC1RAB9A | |
| SCHEMBL29803921 | 0.88 | NR1H2 (0.53) | NR1H2ESR2TMPRSS2NPC1RAB9A | |
| SCHEMBL24670815 | 0.87 | NR1H2 (0.54) | NR1H2ESR2TMPRSS2NPC1RAB9A |
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 |