Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28322161 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2HTTMAPTL3MBTL1KDM4E | |
| Tert-Butyl Formate SCHEMBL28876913 | 0.80 | HTT (0.39) | SMN1; SMN2HTTMAPTL3MBTL1KDM4E | |
| SCHEMBL21526049 | 0.80 | SMN1; SMN2 (0.41) | SMN1; SMN2HTTP2RX7NPC1HPGD | |
| SCHEMBL28322154 | 0.74 | SMN1; SMN2 (0.39) | SMN1; SMN2HTTMAPTL3MBTL1KDM4E | |
| Tert-Butyl Formate SCHEMBL28322155 | 0.73 | CYP1A2 (0.47) | SMN1; SMN2MAPTKDM4EMEN1KMT2A | |
| SCHEMBL28323174 | 0.72 | SMN1; SMN2 (0.49) | SMN1; SMN2HTTMAPTL3MBTL1KDM4E | |
| SCHEMBL28323172 | 0.70 | SMN1; SMN2 (0.44) | SMN1; SMN2HTTMAPTL3MBTL1KDM4E | |
| SCHEMBL28323196 | 0.68 | HTT (0.42) | SMN1; SMN2HTTMAPTKDM4EMAPK1 | |
| SCHEMBL28323182 | 0.67 | ALDH1A1 (0.48) | SMN1; SMN2HTTKDM4EMEN1KMT2A | |
| SCHEMBL21548891 | 0.67 | SMN1; SMN2 (0.73) | SMN1; SMN2HTTMAPTL3MBTL1KDM4E |
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-110198930-A | Pyrimidine derivatives | 第一三共株式会社 | 2019-09-03 | — | — | CN | disclosed |