Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | GAA | P10253 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | GFER | P55789 | 2/20 | 0.61 |
| ▸ | TRIM33 | Q9UPN9 | 4/20 | 0.57 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.57 |
| ▸ | SALL4 | Q9UJQ4 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | PIM1 | P11309 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13464260 | 0.99 | ADORA1 (0.64) | ALDH1A1GAAMAPTMAPK1NPSR1 | |
| SCHEMBL1970474 | 0.85 | ALDH1A1 (0.63) | ALDH1A1GAAMAPTMAPK1NPSR1 | |
| SCHEMBL15172138 | 0.85 | ADORA1 (0.69) | ALDH1A1GAAMAPTMAPK1NPSR1 | |
| SCHEMBL1966948 | 0.85 | ALDH1A1 (0.63) | ALDH1A1GAAMAPTMAPK1NPSR1 | |
| SCHEMBL2986458 | 0.85 | ALOX5 (0.70) | ALDH1A1GAAMAPTMAPK1NPSR1 | |
| SCHEMBL1965009 | 0.85 | ALDH1A1 (0.63) | ALDH1A1GAAMAPTMAPK1NPSR1 | |
| SCHEMBL1965252 | 0.84 | ADORA1 (0.64) | ALDH1A1GAAMAPTMAPK1NPSR1 | |
| SCHEMBL15623943 | 0.84 | ADORA1 (0.64) | ALDH1A1GAAMAPTMAPK1NPSR1 | |
| SCHEMBL1971466 | 0.84 | ADORA1 (0.64) | ALDH1A1GAAMAPTMAPK1NPSR1 | |
| SCHEMBL15172137 | 0.84 | ADORA1 (0.71) | ALDH1A1GAAMAPTMAPK1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010032195-A1 | IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS | CSIR (ZA) | 2010-03-25 | — | — | WO | disclosed |