Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | NEK2 | P51955 | 4/20 | 0.36 |
| ▸ | CDK1 | P06493 | 2/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27459025 | 0.89 | HPGD (0.33) | ALDH1A1MAPTHPGDPKMTSHR | |
| SCHEMBL27685360 | 0.86 | PTPN1 (0.39) | GSK3BATMUSP2F2L3MBTL1 | |
| SCHEMBL27717446 | 0.81 | KDM4E (0.39) | ALDH1A1MAPTKDM4EUSP2L3MBTL1 | |
| SCHEMBL27775630 | 0.78 | MAOB (0.42) | ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL27407660 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EGSK3BNEK2 | |
| SCHEMBL27775556 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EHIF1AMAPK1 | |
| SCHEMBL27590615 | 0.74 | AHR (0.35) | ALDH1A1KDM4EHPGD | |
| SCHEMBL27859196 | 0.74 | BRD4 (0.44) | — | |
| SCHEMBL27539125 | 0.71 | — | — | |
| SCHEMBL27590553 | 0.71 | BRD4 (0.36) | ALDH1A1MAPTKDM4EUSP2L3MBTL1 |
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-109476664-A | New compound as autotaxin inhibitors and the pharmaceutical composition comprising it | 乐高化学生物科学股份有限公司 | 2019-03-15 | — | — | CN | disclosed |