Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HMGCR | P04035 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30870738 | 0.87 | KDM4E (0.69) | KDM4EHTTCYP3A4TSHRGAA | |
| SCHEMBL705665 | 0.87 | KDM4E (0.69) | KDM4EHTTCYP3A4TSHRGAA | |
| SCHEMBL4770365 | 0.86 | KDM4E (0.53) | KDM4EHTTCYP3A4TSHRGAA | |
| SCHEMBL6096678 | 0.86 | KDM4E (0.53) | KDM4EHTTCYP3A4TSHRGAA | |
| SCHEMBL7300064 | 0.86 | TSHR (0.62) | KDM4EHTTCYP3A4TSHRGAA | |
| SCHEMBL7291805 | 0.86 | TSHR (0.62) | KDM4EHTTCYP3A4TSHRGAA | |
| SCHEMBL16285129 | 0.84 | KDM4E (0.54) | KDM4EHTTCYP3A4TSHRGAA | |
| SCHEMBL19364180 | 0.83 | CYP3A4 (0.58) | KDM4EHTTCYP3A4TSHRHMGCR | |
| SCHEMBL16280043 | 0.82 | KDM4E (0.51) | KDM4EHTTCYP3A4TSHRGAA | |
| SCHEMBL16083519 | 0.82 | KDM4E (0.51) | KDM4EHTTCYP3A4TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020040581-A1 | NOVEL QUINOLINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT | 고려대학교 산학협력단 | 2020-02-27 | — | — | WO | disclosed |