Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL27971447 | 0.83 | SIGMAR1 (0.59) | SIGMAR1LMNAGSK3BALDH1A1 | |
| SCHEMBL19611853 | 0.83 | MEN1 (0.56) | HDAC1PTGS2MAPTALDH1A1 | |
| SCHEMBL17961132 | 0.81 | SIGMAR1 (0.51) | SIGMAR1KCNH2HDAC1PTGS2MAPT | |
| SCHEMBL28523893 | 0.79 | SIGMAR1 (0.43) | SIGMAR1KCNH2 | |
| SCHEMBL17961115 | 0.79 | HDAC1 (0.51) | SIGMAR1KCNH2HDAC1PTGS2MAPT | |
| SCHEMBL9369847 | 0.76 | CA5A (0.54) | SIGMAR1KCNH2MAPTLMNAALDH1A1 | |
| SCHEMBL18925014 | 0.75 | SIGMAR1 (0.45) | SIGMAR1KCNH2HDAC1PTGS2MAPT | |
| SCHEMBL28517969 | 0.75 | SIGMAR1 (0.40) | SIGMAR1KCNH2HDAC1 | |
| SCHEMBL17961139 | 0.75 | MAPT (0.54) | SIGMAR1KCNH2HDAC1PTGS2MAPT | |
| SCHEMBL16401906 | 0.75 | HDAC1 (0.49) | SIGMAR1KCNH2HDAC1PTGS2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104059055-B | 1,2, 3-triazole compound and preparation method and application thereof | 常州大学 | 2016-08-31 | — | — | CN | disclosed |
| CN-105440020-A | 1,2,3-triazole compounds with antitumor activity and preparation method for 1,2,3-triazole compounds | UNIV CHANGZHOU | 2016-03-30 | — | — | CN | disclosed |
| CN-104059055-A | 1,2, 3-triazole compound and preparation method and application thereof | UNIV CHANGZHOU | 2014-09-24 | — | — | CN | disclosed |