Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.51 |
| ▸ | IDH2 | P48735 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.44 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28468375 | 0.87 | ABCG2 (0.48) | IDH2ABCG2DHODHKMT2ATDP1 | |
| SCHEMBL28464625 | 0.87 | TDP1 (0.45) | KCNH3ABCG2DHODHKMT2ATDP1 | |
| SCHEMBL28468374 | 0.83 | AURKA (0.43) | IDH2DHODHEPHX2KMT2ATDP1 | |
| SCHEMBL28460207 | 0.79 | ABCG2 (0.46) | ABCG2GSK3AGSK3BMAPK8POLB | |
| SCHEMBL28460612 | 0.77 | KCNH3 (0.50) | KCNH3ABCG2KMT2AMAPK8POLB | |
| SCHEMBL28459525 | 0.76 | EGFR (0.49) | ABCG2KMT2AMEN1MAPT | |
| SCHEMBL14243705 | 0.71 | KCNH3 (0.50) | KCNH3IDH2ABCG2KMT2ATDP1 | |
| SCHEMBL22542860 | 0.69 | EPHX2 (0.54) | ABCG2DHODHEPHX2KMT2ATDP1 | |
| SCHEMBL24401492 | 0.69 | TUBB4A (0.50) | KCNH3IDH2ABCG2DHODHEPHX2 | |
| SCHEMBL29531777 | 0.69 | TUBB4A (0.50) | KCNH3IDH2ABCG2DHODHEPHX2 |
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-107382840-B | Pyridine compound and application thereof as IDH function mutation mutant inhibitor drug | 四川大学 | 2020-09-01 | — | — | CN | disclosed |