Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.39 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.38 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28919427 | 0.76 | KIF11 (0.43) | NISCHCASP3KIF11 | |
| SCHEMBL28601621 | 0.76 | KMT2A (0.44) | IDO1MAPK1 | |
| SCHEMBL9339972 | 0.75 | SCN9A (0.43) | IDO1NISCHNOTUMAURKATPX2 | |
| SCHEMBL28919424 | 0.72 | MAPK14 (0.48) | MAPK1NPC1RAB9A | |
| SCHEMBL28919009 | 0.71 | ALDH1A1 (0.42) | KIF11MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL254957 | 0.71 | MAPT (0.56) | NISCHNOTUMKIF11MAPTL3MBTL1 | |
| SCHEMBL255564 | 0.69 | CCR6 (0.50) | MAPTALDH1A1CHRNA7GRIN2BTRPV1 | |
| SCHEMBL12391777 | 0.69 | CYP2D6 (0.46) | IDO1NISCHNOTUMAURKATPX2 | |
| SCHEMBL28606749 | 0.69 | NISCH (0.41) | AKR1C2AKR1C1NISCHNOTUMMAPT | |
| SCHEMBL28608387 | 0.68 | KIF11 (0.41) | AKR1C2AKR1C1NISCHNOTUMKIF11 |
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-113200983-A | Compound with pyrrolopyridine structure, preparation method and medical application | 中国药科大学 | 2021-08-03 | — | — | CN | disclosed |