Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.65 |
| ▸ | RAB9A | P51151 | 5/20 | 0.65 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | BCHE | P06276 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CCR5 | P51681 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.51 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28654116 | 0.87 | HDAC8 (0.61) | NPC1RAB9AHDAC8HDAC6MAPT | |
| SCHEMBL28248392 | 0.87 | HDAC6 (0.61) | NPC1RAB9AHDAC8HDAC6SMN1; SMN2 | |
| SCHEMBL28248363 | 0.85 | NPC1 (0.68) | NPC1RAB9AHDAC8HDAC6MAPT | |
| SCHEMBL8361567 | 0.83 | NPC1 (0.76) | NPC1RAB9AMAPTSMN1; SMN2CCR5 | |
| SCHEMBL28648566 | 0.81 | RAB9A (0.73) | NPC1RAB9AMAPTSMN1; SMN2POLB | |
| SCHEMBL13679680 | 0.81 | HDAC8 (0.60) | HDAC8HDAC6BCHE | |
| SCHEMBL822378 | 0.80 | RAB9A (1.00) | NPC1RAB9AHDAC6MAPTSMN1; SMN2 | |
| SCHEMBL14580374 | 0.80 | RAB9A (1.00) | NPC1RAB9AHDAC6MAPTSMN1; SMN2 | |
| SCHEMBL15214321 | 0.80 | RAB9A (1.00) | NPC1RAB9AHDAC6MAPTSMN1; SMN2 | |
| SCHEMBL12310125 | 0.80 | RAB9A (1.00) | NPC1RAB9AHDAC6MAPTSMN1; SMN2 |
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-108623537-B | Synthesis and application of aromatic amine acetylcholinesterase inhibitor containing amine side chain | 中南大学 | 2021-11-12 | — | — | CN | disclosed |