Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23904767 | 1.00 | CA12 (0.44) | CA12CA1CA2CA4CA6 | |
| SCHEMBL23958665 | 0.88 | CYP3A4 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23958826 | 0.86 | HPGDS (0.38) | HPGDSKDM4E | |
| SCHEMBL23904848 | 0.83 | KMO (0.37) | — | |
| SCHEMBL23195634 | 0.82 | CA12 (0.47) | CA12CA1CA2CA4CA6 | |
| SCHEMBL23195609 | 0.82 | CA12 (0.47) | CA12CA1CA2CA4CA6 | |
| SCHEMBL23883072 | 0.80 | CA12 (0.53) | CA12CA1CA2CA4CA6 | |
| SCHEMBL23195851 | 0.80 | CNR2 (0.49) | CA12CA1CA2CA4CA6 | |
| SCHEMBL23883077 | 0.80 | KDM4E (0.49) | CA12CA1CA2CA4CA6 | |
| SCHEMBL23905356 | 0.79 | CA12 (0.47) | CA12CA1CA2CA4CA6 |
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 |