Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 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 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL12780463 | 0.79 | AKR1B1 (0.37) | HDAC1ALDH1A1KDM4EPOLBTDP1 | |
| SCHEMBL4885799 | 0.79 | SMN1; SMN2 (0.53) | ALDH1A1KDM4EPOLBTDP1L3MBTL1 | |
| SCHEMBL20540263 | 0.79 | KDM4E (0.39) | METTL3HDAC1ALDH1A1KDM4EPOLB | |
| SCHEMBL4889270 | 0.79 | PARP1 (0.39) | HDAC1ALDH1A1KDM4EPOLBTDP1 | |
| SCHEMBL869867 | 0.75 | APP (0.43) | METTL3ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL29373308 | 0.73 | BACE1 (0.40) | BACE1BACE2PDE10AMETTL3ALDH1A1 | |
| SCHEMBL871327 | 0.73 | PTGS1 (0.51) | HDAC1ALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL15004606 | 0.73 | HDAC1 (0.47) | BACE1BACE2PDE10AMETTL3HDAC1 | |
| SCHEMBL12778701 | 0.73 | BACE1 (0.40) | BACE1BACE2PDE10AMETTL3ALDH1A1 | |
| SCHEMBL31027770 | 0.71 | PTGS1 (0.58) | BACE1BACE2PDE10AMETTL3ALDH1A1 |
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 |