Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KDM5C | P41229 | 1/20 | 0.39 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5909428 | 0.86 | MCL1 (0.55) | MCL1FAAHMMP1MMP2MMP3 | |
| SCHEMBL12086393 | 0.82 | CTSD (0.61) | CTSDMCL1FAAHKDM4EKDM5C | |
| Methyl Alcohol SCHEMBL28827180 | 0.80 | CTSD (0.55) | CTSDKDM4EKDM5CPHF8KDM2A | |
| SCHEMBL220535 | 0.80 | — | — | |
| SCHEMBL14392989 | 0.77 | CTSD (0.43) | CTSDMCL1FAAHKDM4EKDM5C | |
| SCHEMBL17407651 | 0.76 | MCL1 (0.46) | MCL1FAAHMMP1MMP2MMP3 | |
| SCHEMBL1968394 | 0.76 | — | — | |
| SCHEMBL4404972 | 0.76 | MCL1 (0.46) | MCL1FAAHMMP1MMP2MMP3 | |
| SCHEMBL28886374 | 0.75 | MCL1 (0.50) | MCL1FAAHMMP1MMP2MMP3 | |
| SCHEMBL13936483 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112236426-B | Process for preparing 2,4, 5-trisubstituted 1,2, 4-triazolones | 拜耳股份有限公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-112236426-A | Process for preparing 2,4, 5-trisubstituted 1,2, 4-triazolones | 拜耳股份有限公司 | 2021-01-15 | — | — | CN | disclosed |