Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL11486144 | 0.89 | HRH3 (0.41) | CYP17A1HRH3ALDH1A1 | |
| SCHEMBL11489273 | 0.86 | ICMT (0.35) | CYP17A1KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL11489697 | 0.86 | SCN9A (0.43) | SCN9ASIGMAR1KDM4EHPGDTSHR | |
| SCHEMBL11494288 | 0.85 | AOC3 (0.36) | CYP17A1ALDH1A1 | |
| SCHEMBL11486667 | 0.85 | POLB (0.38) | CYP17A1SCN9AKCNH3KDM4EALDH1A1 | |
| SCHEMBL11488503 | 0.85 | SIGMAR1 (0.50) | CYP17A1SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL11489315 | 0.84 | ICMT (0.40) | — | |
| SCHEMBL11493493 | 0.84 | HSD11B1 (0.38) | CYP3A4HPGDTSHR | |
| SCHEMBL11494025 | 0.83 | SIGMAR1 (0.43) | SIGMAR1SLC2A1HRH3KDM4EALDH1A1 | |
| SCHEMBL11487254 | 0.83 | SLC6A2 (0.40) | SIGMAR1SLC2A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4239759-A | Morpholino containing compounds, compositions and use thereof | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4110447-A | Anti-inflammatory (halo-4-biphenylyl)-alkanolamines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-08-29 | — | — | US | disclosed |