Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31481112 | 0.78 | EPHX2 (0.53) | ARALDH1A1KDM4EEPHX2MAPT | |
| SCHEMBL17024788 | 0.77 | NPC1 (0.43) | ALDH1A1KDM4EKMT2AEPHX2MTNR1A | |
| SCHEMBL18310021 | 0.77 | KDM4E (0.37) | ALDH1A1KDM4EKMT2AEPHX2MTNR1A | |
| SCHEMBL581742 | 0.76 | KCNH2 (0.35) | ARKCNH2KDM5A | |
| SCHEMBL4139863 | 0.76 | ALDH1A1 (0.38) | ARALDH1A1KDM4EKMT2AGLA | |
| SCHEMBL24621132 | 0.72 | AR (0.40) | ARALDH1A1KDM4EGLAPGR | |
| SCHEMBL28803316 | 0.72 | ALDH1A1 (0.38) | ALDH1A1KDM4EKMT2AGLAMAPT | |
| SCHEMBL4012260 | 0.72 | FPR2 (0.33) | ALDH1A1KDM4EHDAC6FPR2 | |
| SCHEMBL23348633 | 0.71 | KDM4E (0.43) | ARALDH1A1KDM4EKMT2AMTNR1A | |
| SCHEMBL23810761 | 0.71 | KMT2A (0.42) | ALDH1A1KDM4EKMT2AMTNR1AMTNR1B |
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-114901658-A | Nitrogen-containing heterocyclic ring autotaxin inhibitor, and composition and application thereof | 四川海思科制药有限公司 | 2022-08-12 | — | — | CN | disclosed |