Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 3/20 | 0.43 |
| ▸ | KDR | P35968 | 3/20 | 0.43 |
| ▸ | FLT4 | P35916 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28464625 | 0.88 | TDP1 (0.45) | KCNH3MAPTABCG2NPSR1POLB | |
| SCHEMBL28459525 | 0.87 | EGFR (0.49) | MAPTABCB1SMN1; SMN2ABCG2KDR | |
| SCHEMBL28460207 | 0.87 | ABCG2 (0.46) | ABCG2POLBEGFRCAMK2DGRM4 | |
| SCHEMBL28468375 | 0.84 | ABCG2 (0.48) | ABCG2FLT1KDRFLT4POLB | |
| SCHEMBL12172478 | 0.77 | KCNH3 (0.54) | KCNH3SMN1; SMN2NPSR1FLT1KDR | |
| SCHEMBL28463105 | 0.77 | KCNH3 (0.51) | KCNH3MAPTABCG2NPSR1POLB | |
| SCHEMBL28468374 | 0.74 | AURKA (0.43) | MAPTNPSR1POLBKMT2AEGFR | |
| SCHEMBL17503366 | 0.72 | NPSR1 (0.59) | SMN1; SMN2NPSR1FLT1KDRKMT2A | |
| SCHEMBL20893300 | 0.71 | NPSR1 (0.63) | KCNH3MAPTABCB1SMN1; SMN2ABCG2 | |
| SCHEMBL30145063 | 0.71 | NPSR1 (0.63) | KCNH3MAPTABCB1SMN1; SMN2ABCG2 |
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 |