Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31035573 | 0.79 | PARP1 (0.36) | NPC1RAB9AALDH1A1L3MBTL1KDM4E | |
| SCHEMBL29373308 | 0.77 | BACE1 (0.40) | PDE10ABACE1BACE2NPC1RAB9A | |
| SCHEMBL31035662 | 0.75 | APP (0.43) | NPC1RAB9AAHRMETTL3ALDH1A1 | |
| SCHEMBL15004606 | 0.73 | HDAC1 (0.47) | PDE10ABACE1BACE2NPC1RAB9A | |
| SCHEMBL21045066 | 0.73 | RAB9A (0.49) | NPC1RAB9AALDH1A1L3MBTL1KDM4E | |
| SCHEMBL12778701 | 0.73 | BACE1 (0.40) | PDE10ABACE1BACE2NPC1RAB9A | |
| SCHEMBL31035787 | 0.69 | BACE1 (0.38) | PDE10ABACE1BACE2NPC1RAB9A | |
| SCHEMBL22529079 | 0.69 | METTL3 (0.43) | PDE10ABACE1BACE2NPC1RAB9A | |
| SCHEMBL13080280 | 0.69 | METTL3 (0.46) | PDE10ABACE1BACE2NPC1RAB9A | |
| SCHEMBL17254607 | 0.69 | PDE10A (0.63) | PDE10ABACE1BACE2NPC1RAB9A |
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-118434744-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2024-08-02 | — | — | CN | disclosed |