Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3851329 | 0.79 | TRPA1 (0.40) | ERBB2TRPA1SCN5ASCN9ANOTUM | |
| SCHEMBL4282428 | 0.76 | MAOB (0.46) | ERBB2MAOAMAOBKDM1ATDO2 | |
| SCHEMBL3848746 | 0.76 | ERBB2 (0.41) | ERBB2NOTUMMAPK13MAPK12MAPK11 | |
| SCHEMBL1555150 | 0.76 | ERBB2 (0.41) | ERBB2TRPA1NOTUMMAPK13MAPK12 | |
| SCHEMBL6155891 | 0.76 | PDE3B (0.39) | CA12CA1CA2CA9CHEK1 | |
| SCHEMBL518672 | 0.75 | ALOX15 (0.48) | ERBB2MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL13592411 | 0.75 | NOTUM (0.40) | TRPA1SCN5ASCN9ANOTUMMMP3 | |
| SCHEMBL2148744 | 0.73 | LMNA (0.40) | NOTUMMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL3850689 | 0.73 | NISCH (0.39) | MAPK13MAPK12MAPK11MAPK14ALOX5 | |
| SCHEMBL3850635 | 0.73 | MEN1 (0.51) | CA12CA1CA2CA9 |
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-102382055-A | Method for synthetizing 1, 3-diaryl-4-halogen pyrazole compound | UNIV TONGJI | 2012-03-21 | — | — | CN | disclosed |