Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2685827 | 0.84 | OPRM1 (0.35) | OPRM1GBA1PARP1EIF2AK4ALDH1A1 | |
| SCHEMBL2845814 | 0.80 | HTT (0.30) | — | |
| SCHEMBL15808505 | 0.75 | — | — | |
| SCHEMBL15050027 | 0.74 | HSD11B1 (0.34) | EIF2AK4HSD11B1 | |
| SCHEMBL11972563 | 0.73 | OPRM1 (0.35) | OPRM1GBA1PARP1ALDH1A1KDM4E | |
| SCHEMBL30639643 | 0.72 | LTA4H (0.41) | GBA1ALDH1A1GAA | |
| SCHEMBL10002493 | 0.72 | SMN1; SMN2 (0.37) | OPRM1GBA1PARP1HSD11B1 | |
| SCHEMBL10002497 | 0.69 | GBA1 (0.37) | OPRM1GBA1PARP1ALDH1A1KDM4E | |
| SCHEMBL2686807 | 0.69 | GBA1 (0.37) | OPRM1GBA1PARP1ALDH1A1KDM4E | |
| SCHEMBL18775525 | 0.69 | MAOB (0.40) | OPRM1GBA1EIF2AK4KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-7683057-B2 | 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) | TYROGENEX, INC. (US) | 2010-03-23 | — | — | US | claimed |