Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.48 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28703131 | 0.88 | NPC1 (0.48) | NPC1RAB9AMAOBHDAC1HDAC6 | |
| SCHEMBL28713425 | 0.87 | NPC1 (0.61) | NPC1RAB9ASLC5A1SLC5A2MAOB | |
| SCHEMBL28711503 | 0.86 | RAB9A (0.47) | NPC1RAB9AMAOBFFAR1HDAC1 | |
| SCHEMBL28711497 | 0.86 | NPC1 (0.47) | NPC1RAB9ASLC5A1SLC5A2MAOB | |
| SCHEMBL28711559 | 0.86 | NPC1 (0.64) | NPC1RAB9AMAOBTDP1HDAC1 | |
| SCHEMBL28709453 | 0.85 | F2RL1 (0.54) | NPC1RAB9ASLC5A1SLC5A2TDP1 | |
| SCHEMBL28709456 | 0.85 | FFAR1 (0.54) | NPC1RAB9AMAOBFFAR1 | |
| SCHEMBL28715747 | 0.84 | RAB9A (0.48) | NPC1RAB9AMAOBL3MBTL1HDAC1 | |
| SCHEMBL28715749 | 0.83 | CYP1A2 (0.48) | NPC1RAB9ACYP2C9MAOBHDAC1 | |
| SCHEMBL12505692 | 0.81 | SLC5A1 (0.44) | SLC5A1SLC5A2TDP1L3MBTL1FFAR1 |
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 |