Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 1/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13335454 | 1.00 | HTT (0.50) | HTTPARP1KDM4EALDH1A1HPGD | |
| SCHEMBL28365847 | 1.00 | HTT (0.50) | HTTPARP1KDM4EALDH1A1HPGD | |
| SCHEMBL30757991 | 0.85 | HTT (0.49) | HTTPARP1KDM4EALDH1A1HPGD | |
| SCHEMBL29264829 | 0.85 | HTT (0.49) | HTTPARP1KDM4EALDH1A1HPGD | |
| SCHEMBL8747567 | 0.83 | HTT (0.47) | HTTPARP1KDM4EALDH1A1HPGD | |
| SCHEMBL8747564 | 0.83 | HTT (0.47) | HTTPARP1KDM4EALDH1A1HPGD | |
| SCHEMBL21783058 | 0.83 | HTT (0.47) | HTTPARP1KDM4EALDH1A1HPGD | |
| SCHEMBL14605000 | 0.80 | HTT (0.45) | HTTPARP1KDM4EALDH1A1HPGD | |
| SCHEMBL24554806 | 0.80 | POLB (0.50) | HTTPARP1KDM4EALDH1A1HPGD | |
| SCHEMBL8429796 | 0.80 | HTT (0.45) | HTTPARP1KDM4EALDH1A1HPGD |
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-2022261473-A1 | PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2022-12-15 | — | — | WO | disclosed |