Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.33 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2651520 | 1.00 | GPBAR1 (0.34) | GPBAR1AAK1MAP4K4MINK1TNIK | |
| SCHEMBL11955164 | 0.84 | AAK1 (0.34) | GPBAR1AAK1RAB9A | |
| SCHEMBL24858180 | 0.81 | AAK1 (0.33) | AAK1 | |
| SCHEMBL25686618 | 0.81 | AAK1 (0.38) | AAK1 | |
| SCHEMBL16198250 | 0.80 | MAP4K4 (0.34) | AAK1MAP4K4MINK1TNIKHCRTR1 | |
| SCHEMBL29460067 | 0.78 | PIK3CD (0.35) | GPBAR1NPC1 | |
| SCHEMBL1961605 | 0.78 | PIK3CD (0.35) | GPBAR1NPC1 | |
| SCHEMBL24783824 | 0.74 | KDM4E (0.36) | MAP4K4MINK1TNIKGAA | |
| SCHEMBL8288534 | 0.73 | SMN1; SMN2 (0.41) | ATR | |
| SCHEMBL23930112 | 0.73 | ALOX5AP (0.32) | AAK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115461336-A | RSV inhibiting 3-substituted quinoline and cinnoline derivatives | 爱尔兰詹森科学公司 | 2022-12-09 | — | — | CN | disclosed |