Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29425658 | 1.00 | HDAC1 (0.50) | HDAC1HDAC6NPC1RAB9ACASP3 | |
| SCHEMBL28711497 | 0.84 | NPC1 (0.47) | HDAC1HDAC6NPC1RAB9AMAOB | |
| SCHEMBL28936752 | 0.83 | HDAC1 (0.53) | HDAC1HDAC6NPC1RAB9AMAOB | |
| SCHEMBL28709454 | 0.83 | KDM4E (0.50) | HDAC1HDAC6NPC1RAB9AMAOB | |
| SCHEMBL29425701 | 0.83 | KDM4E (0.50) | HDAC1HDAC6NPC1RAB9AMAOB | |
| SCHEMBL29425666 | 0.83 | HDAC1 (0.53) | HDAC1HDAC6NPC1RAB9AMAOB | |
| SCHEMBL28715742 | 0.83 | GAA (0.50) | HDAC1HDAC6TAAR1 | |
| SCHEMBL28713425 | 0.82 | NPC1 (0.61) | HDAC1HDAC6NPC1RAB9AMAOB | |
| SCHEMBL28703131 | 0.77 | NPC1 (0.48) | HDAC1HDAC6NPC1RAB9AMAOB | |
| SCHEMBL28700880 | 0.77 | NPC1 (0.48) | HDAC1HDAC6NPC1RAB9AMAOB |
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-114213307-A | Preparation method of N-alkyl substituted pyrrolidone compound | 河南农业大学 | 2022-03-22 | — | — | CN | disclosed |