Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 5/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6799885 | 0.84 | ESR2 (0.38) | ESR2 | |
| SCHEMBL28633390 | 0.81 | LRRK2 (0.41) | LRRK2ALDH1A1ESR2MAOAMAOB | |
| SCHEMBL731049 | 0.81 | ESR2 (0.44) | LRRK2ALDH1A1ESR2MAOAMAOB | |
| SCHEMBL3544339 | 0.76 | ACHE (0.35) | ALDH1A1CYP2A6MAOBMEN1KMT2A | |
| SCHEMBL9745943 | 0.75 | VCAM1 (0.44) | ALDH1A1HPGDNPSR1MEN1MAPT | |
| SCHEMBL29799042 | 0.75 | ESR2 (0.66) | LRRK2ARALDH1A1CYP2A6ESR2 | |
| SCHEMBL27963955 | 0.75 | ESR2 (0.66) | LRRK2ARALDH1A1CYP2A6ESR2 | |
| SCHEMBL313 | 0.75 | ESR2 (0.66) | LRRK2ARALDH1A1CYP2A6ESR2 | |
| SCHEMBL134890 | 0.74 | KDM5A (0.37) | ARALDH1A1MAOBADORA1MEN1 | |
| SCHEMBL232460 | 0.73 | — | — |
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-110526850-A | The preparation method of 2,5- diaryl -3- cyanopyrrole compound | UNIV ZHEJIANG | 2019-12-03 | — | — | CN | disclosed |