Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7609839 | 0.85 | SMN1; SMN2 (0.54) | NPC1HPGDRAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL7613210 | 0.82 | CYP17A1 (0.50) | CYP17A1PTPN11PPARGPPARAPSMB8 | |
| SCHEMBL7605437 | 0.81 | CYP17A1 (0.49) | CYP17A1PTPN11PPARGPPARAPSMB8 | |
| SCHEMBL13055402 | 0.78 | CYP17A1 (0.59) | CYP17A1PTPN11PSMB8NAMPTPTGDR2 | |
| SCHEMBL24263030 | 0.77 | CYP17A1 (0.50) | CYP17A1PTPN11PPARGPPARAPSMB8 | |
| SCHEMBL104556 | 0.77 | RAB9A (0.55) | CYP17A1PSMB8NAMPTNPC1HPGD | |
| SCHEMBL1864567 | 0.77 | CYP17A1 (0.50) | CYP17A1PTPN11PPARGPPARAPSMB8 | |
| SCHEMBL5726217 | 0.77 | NR1H4 (0.57) | CYP17A1PTPN11PPARGPPARAPSMB8 | |
| SCHEMBL11087230 | 0.77 | NAMPT (0.48) | CYP17A1PTPN11PPARGPPARAPSMB8 | |
| SCHEMBL1000734 | 0.77 | NR1H4 (0.57) | CYP17A1PTPN11PPARGPPARAPSMB8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1230210-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036375-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-25 | — | — | WO | disclosed |