Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22018189 | 1.00 | ALDH1A1 (0.51) | ALDH1A1MAPTGAAHCRTR1HCRTR2 | |
| SCHEMBL22018288 | 0.92 | ALDH1A1 (0.46) | ALDH1A1MAPTGAAHCRTR1HCRTR2 | |
| SCHEMBL24192972 | 0.87 | ALDH1A1 (0.51) | ALDH1A1GAAACHEMEN1KMT2A | |
| SCHEMBL1672993 | 0.77 | HRH3 (0.52) | HCRTR1HCRTR2CHRM4 | |
| SCHEMBL21963535 | 0.77 | HRH3 (0.52) | HCRTR1HCRTR2CHRM4 | |
| SCHEMBL27216329 | 0.76 | MAPT (0.46) | ALDH1A1MAPTGAAACHEPOLB | |
| SCHEMBL24192976 | 0.74 | HCRTR1 (0.49) | HCRTR1HCRTR2KDM4EHPGDHSD17B10 | |
| SCHEMBL584067 | 0.74 | ALDH1A1 (0.67) | ALDH1A1ACHEMEN1KMT2ATSHR | |
| SCHEMBL6096881 | 0.74 | ALDH1A1 (0.67) | ALDH1A1ACHEMEN1KMT2ATSHR | |
| SCHEMBL22018203 | 0.72 | KDM4E (0.44) | ALDH1A1HCRTR1HCRTR2MEN1KMT2A |
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-2020100011-A1 | IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-05-22 | — | — | WO | disclosed |