Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | NAMPT | P43490 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14113922 | 1.00 | MAPT (0.56) | MAPTKDM4EALDH1A1CASP1CASP7 | |
| SCHEMBL15805084 | 1.00 | MAPT (0.56) | MAPTKDM4EALDH1A1CASP1CASP7 | |
| SCHEMBL14880628 | 1.00 | MAPT (0.56) | MAPTKDM4EALDH1A1CASP1CASP7 | |
| SCHEMBL15799419 | 1.00 | MAPT (0.56) | MAPTKDM4EALDH1A1CASP1CASP7 | |
| SCHEMBL15689617 | 0.87 | NAMPT (0.56) | MAPTKDM4EALDH1A1CASP1CASP7 | |
| SCHEMBL15689616 | 0.87 | NAMPT (0.56) | MAPTKDM4EALDH1A1CASP1CASP7 | |
| SCHEMBL15689604 | 0.84 | NAMPT (0.52) | ALDH1A1NAMPTCYP2A6CYP3A4CYP2C9 | |
| SCHEMBL3597647 | 0.82 | MAPT (0.46) | MAPTALDH1A1NAMPTPKMGAA | |
| SCHEMBL15799264 | 0.82 | MAPT (0.40) | MAPTKDM4EALDH1A1CASP1CASP7 | |
| SCHEMBL3597645 | 0.82 | MAPT (0.46) | MAPTALDH1A1NAMPTPKMGAA |
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-109641898-B | 5, 7-dihydro-pyrrolo-pyridine derivatives for the treatment of neurological and neurodegenerative diseases | 辉瑞公司 | 2022-04-08 | — | — | CN | disclosed |