Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 4/20 | 0.31 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28196249 | 0.87 | RAD52 (0.42) | RAD52CA2MAPTKDM4EALDH1A1 | |
| SCHEMBL10894932 | 0.83 | CASP1 (0.42) | MAPTKDM4EALDH1A1CYP3A4CASP1 | |
| Hydrochloric Acid SCHEMBL10893099 | 0.81 | CASP1 (0.41) | MAPTKDM4EALDH1A1CYP3A4CASP1 | |
| Carbamic Acid SCHEMBL27891237 | 0.79 | CA2 (0.40) | RAD52CA2MAPTKDM4EALDH1A1 | |
| SCHEMBL29835039 | 0.79 | CASP1 (0.39) | RAD52CA2MAPTKDM4EALDH1A1 | |
| SCHEMBL213571 | 0.79 | CASP1 (0.39) | RAD52CA2MAPTKDM4EALDH1A1 | |
| SCHEMBL29377795 | 0.79 | CASP1 (0.42) | MAPTKDM4EALDH1A1CYP3A4CASP1 | |
| SCHEMBL126188 | 0.79 | CASP1 (0.42) | MAPTKDM4EALDH1A1CYP3A4CASP1 | |
| SCHEMBL21192501 | 0.79 | MPO (0.39) | MAPTKDM4EALDH1A1CASP1GAA | |
| SCHEMBL29154290 | 0.78 | RAD52 (0.38) | RAD52CA2MAPTKDM4EALDH1A1 |
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-104693211-A | Imidazole derivative as antiviral agent and pharmaceutical application thereof | NANJING MINGDE NEW DRUG RES AND DEV CO LTD | 2015-06-10 | — | — | CN | disclosed |