Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL23905550 | 1.00 | KDM4E (0.43) | KDM4EALDH1A1CYP3A4PTPN11MAPT | |
| SCHEMBL25688671 | 0.90 | KDM4E (0.38) | KDM4EALDH1A1CYP3A4PTPN11MAPT | |
| SCHEMBL30007760 | 0.88 | CA12 (0.45) | KDM4ECNR2CA12CA1CA2 | |
| SCHEMBL23905556 | 0.88 | CA12 (0.45) | KDM4ECNR2CA12CA1CA2 | |
| SCHEMBL30211268 | 0.86 | TSHR (0.41) | KDM4EALDH1A1CYP3A4CA12CA1 | |
| SCHEMBL25686436 | 0.85 | KDM4E (0.46) | KDM4EALDH1A1PTPN11MAPTCNR2 | |
| SCHEMBL23904747 | 0.82 | KDM4E (0.50) | KDM4EALDH1A1CYP3A4PTPN11MAPT | |
| SCHEMBL23905572 | 0.80 | KDM4E (0.47) | KDM4EALDH1A1CYP3A4PTPN11MAPT | |
| SCHEMBL30211259 | 0.79 | KDM4E (0.46) | KDM4EALDH1A1CYP3A4PTPN11MAPT | |
| SCHEMBL23883075 | 0.79 | KDM4E (0.46) | KDM4EALDH1A1CYP3A4PTPN11MAPT |
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 |