Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | MGAT2 | Q10469 | 4/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MGAT3 | Q09327 | 1/20 | 0.32 |
| ▸ | MOGAT2 | Q3SYC2 | 1/20 | 0.32 |
| ▸ | LPL | P06858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21190843 | 0.90 | BRD4 (0.45) | BRD4ALDH1A1SOS1GAACA1 | |
| SCHEMBL16651736 | 0.81 | BRD4 (0.46) | BRD4PTGS2EP300 | |
| SCHEMBL21352255 | 0.80 | CES2 (0.34) | BRD4EP300LPLLIPGCXCR2 | |
| SCHEMBL21190844 | 0.78 | BRD4 (0.44) | BRD4SOS1CA1CA2CA9 | |
| SCHEMBL20155111 | 0.78 | BRD4 (0.46) | BRD4ALDH1A1SOS1GAAPKM | |
| SCHEMBL20155117 | 0.77 | ALDH1A1 (0.39) | ALDH1A1SOS1GAACA1CA2 | |
| SCHEMBL21550138 | 0.75 | LPL (0.39) | CA1CA2CA9LPLLIPG | |
| SCHEMBL20157420 | 0.74 | CXCR2 (0.36) | ALDH1A1GAACA1CA2CA9 | |
| SCHEMBL21352090 | 0.74 | PYGL (0.34) | ALDH1A1GAAPKMCXCR2 | |
| SCHEMBL20155541 | 0.73 | ALDH1A1 (0.40) | ALDH1A1SOS1GAACA1CA2 |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |