Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.44 |
| ▸ | VCP | P55072 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28745802 | 1.00 | NPC1 (0.55) | NPC1RAB9AFFAR1PTGDR2VCP | |
| SCHEMBL28745821 | 1.00 | NPC1 (0.55) | NPC1RAB9AFFAR1PTGDR2VCP | |
| SCHEMBL29625166 | 1.00 | NPC1 (0.55) | NPC1RAB9AFFAR1PTGDR2VCP | |
| SCHEMBL29625194 | 0.97 | NPC1 (0.50) | NPC1RAB9AFFAR1PTGDR2VCP | |
| SCHEMBL28745824 | 0.97 | NPC1 (0.50) | NPC1RAB9AFFAR1PTGDR2VCP | |
| SCHEMBL29625228 | 0.91 | NPC1 (0.66) | NPC1RAB9AFFAR1VCPHSP90AA1 | |
| SCHEMBL28745752 | 0.91 | NPC1 (0.66) | NPC1RAB9AFFAR1VCPHSP90AA1 | |
| SCHEMBL29625192 | 0.90 | VCP (0.50) | NPC1RAB9AFFAR1PTGDR2VCP | |
| SCHEMBL28745772 | 0.90 | VCP (0.50) | NPC1RAB9AFFAR1PTGDR2VCP | |
| SCHEMBL29625188 | 0.85 | NPC1 (0.55) | NPC1RAB9AFFAR1VCPHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108892604-B | Method for preparing halogenated benzo [ b ] fluorenone series compounds | 江西师范大学 | 2022-05-31 | — | — | CN | disclosed |