Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1708877 | 0.83 | CA1 (0.48) | CA1CA2ALDH1A1KDM4ECA12 | |
| SCHEMBL16960758 | 0.81 | CA1 (0.47) | CA1CA2ALDH1A1KDM4ECA12 | |
| SCHEMBL475746 | 0.80 | CA1 (0.61) | CA1CA2ALDH1A1KDM4ECA12 | |
| Methyl 3,5-Dimethoxybenzoate SCHEMBL204865 | 0.80 | CA1 (0.61) | CA1CA2ALDH1A1KDM4ECA12 | |
| SCHEMBL31139929 | 0.79 | KDM4E (0.42) | CA1CA2ALDH1A1KDM4EMAPT | |
| SCHEMBL20031375 | 0.78 | CA1 (0.56) | CA1CA2ALDH1A1KDM4ECA12 | |
| SCHEMBL8006347 | 0.78 | ALDH1A1 (0.55) | ALDH1A1KDM4ECYP3A4MAPTGAA | |
| SCHEMBL25254448 | 0.76 | GRM5 (0.56) | KDM4EMAPTPOLBLMNANPC1 | |
| SCHEMBL30563419 | 0.76 | GRM5 (0.56) | KDM4EMAPTPOLBLMNANPC1 | |
| SCHEMBL414382 | 0.75 | CA1 (0.52) | CA1CA2ALDH1A1KDM4ECA12 |
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 |