Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.77 |
| ▸ | HTT | P42858 | 1/20 | 0.77 |
| ▸ | RYR2 | Q92736 | 8/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | VHL | P40337 | 1/20 | 0.58 |
| ▸ | ELOC | Q15369 | 1/20 | 0.58 |
| ▸ | ELOB | Q15370 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11283 | 1.00 | KDM4E (0.77) | KDM4EHTTRYR2ALDH1A1VHL | |
| SCHEMBL7222447 | 0.90 | KDM4E (0.63) | KDM4EHTTRYR2ALDH1A1VHL | |
| SCHEMBL67590 | 0.87 | KDM4E (1.00) | KDM4EHTTRYR2ALDH1A1VHL | |
| SCHEMBL8118067 | 0.83 | RYR2 (0.56) | KDM4EHTTRYR2ALDH1A1KCNH2 | |
| SCHEMBL6366190 | 0.78 | KDM4E (0.82) | KDM4EHTTRYR2ALDH1A1KCNH2 | |
| SCHEMBL56657 | 0.77 | VHL (0.64) | KDM4EHTTALDH1A1VHLELOC | |
| SCHEMBL21038005 | 0.77 | VHL (0.51) | KDM4EHTTRYR2ALDH1A1VHL | |
| SCHEMBL10050688 | 0.77 | KDM4E (0.48) | KDM4EHTTRYR2ALDH1A1VHL | |
| SCHEMBL629534 | 0.76 | RYR2 (1.00) | KDM4EHTTRYR2ALDH1A1KCNH2 | |
| SCHEMBL18537202 | 0.76 | RYR2 (0.50) | KDM4EHTTRYR2ALDH1A1KCNH2 |
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-112759586-B | Chiral thiochroman-4-ketone compound, and preparation method and application thereof | 河南大学 | 2022-05-17 | — | — | CN | disclosed |