Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 7/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | PTGFR | P43088 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23958617 | 1.00 | EGLN1 (0.35) | EGLN1AURKATPX2KMOCA12 | |
| SCHEMBL23930098 | 0.86 | NOTUM (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30007681 | 0.86 | NOTUM (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23904745 | 0.82 | CA12 (0.50) | CA12CA1CA2CA3PKM | |
| SCHEMBL30007888 | 0.81 | CA12 (0.35) | CA12CA1CA2CA3PKM | |
| SCHEMBL23930195 | 0.81 | CA12 (0.35) | CA12CA1CA2CA3PKM | |
| SCHEMBL30007379 | 0.79 | CA12 (0.39) | CA12CA1CA2CA3PKM | |
| SCHEMBL23930093 | 0.79 | CA12 (0.39) | CA12CA1CA2CA3PKM | |
| SCHEMBL23905575 | 0.77 | HCRTR1 (0.35) | CA12CA1CA2CA3PKM | |
| SCHEMBL23904799 | 0.77 | KMT2A (0.41) | KMOCA12CA1CA2CA3 |
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 |