Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL361721 | 0.90 | KDM4E (0.49) | KDM4EALDH1A1USP2LMNAADRA2A | |
| SCHEMBL7660576 | 0.82 | ADRA2A (0.41) | KDM4EALDH1A1USP2LMNAADRA2A | |
| SCHEMBL17101854 | 0.79 | KDM4E (0.66) | KDM4EALDH1A1USP2LMNAGAA | |
| SCHEMBL7112756 | 0.78 | ALDH1A1 (0.52) | KDM4EALDH1A1USP2LMNAGAA | |
| Hydrochloric Acid SCHEMBL28325038 | 0.78 | PRSS1 (0.44) | ALDH1A1HPGD | |
| SCHEMBL361815 | 0.77 | TSHR (0.47) | KDM4EALDH1A1ADRA2AADRA2BADRA2C | |
| SCHEMBL10613827 | 0.77 | AR (0.46) | GAA | |
| SCHEMBL28076075 | 0.77 | GAA (0.55) | KDM4EALDH1A1USP2LMNAGAA | |
| SCHEMBL5665856 | 0.77 | ALDH1A1 (0.41) | KDM4EALDH1A1USP2ADRA2AADRA2B | |
| SCHEMBL26987691 | 0.77 | KDM4E (0.57) | KDM4EALDH1A1USP2LMNATSHR |
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-105294584-A | 1-substituted phenyl-1H-1,2,3-triazole compound as well as preparation method and application thereof | UNIV CHINA MEDICAL | 2016-02-03 | — | — | CN | disclosed |