Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 5/20 | 0.36 |
| ▸ | NOS2 | P35228 | 5/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25820190 | 0.80 | GABRA1 (0.38) | NOS3NOS2GABRA1GABRB2HRH4 | |
| SCHEMBL26489048 | 0.78 | NOS2 (0.44) | NOS3NOS2HRH4KDM4ENOS1 | |
| SCHEMBL25820187 | 0.77 | GABRA1 (0.35) | GABRA1GABRB2HRH4KDM4EUSP2 | |
| SCHEMBL18520062 | 0.76 | — | — | |
| SCHEMBL29439832 | 0.76 | KDM4E (0.39) | NOS3NOS2KDM4ENOS1HPGD | |
| SCHEMBL28714994 | 0.76 | KDM4E (0.39) | NOS3NOS2KDM4ENOS1HPGD | |
| SCHEMBL18520449 | 0.75 | PDXK (0.31) | — | |
| SCHEMBL21834060 | 0.74 | ALDH1A1 (0.37) | NOS2KDM4EHPGDHSD17B10 | |
| SCHEMBL2084548 | 0.72 | GABRA1 (0.47) | NOS3NOS2GABRA1GABRB2KDM4E | |
| SCHEMBL25370487 | 0.72 | NOS2 (0.35) | NOS3NOS2KDM4ENOS1HPGD |
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-113105475-B | Inhibitors of bruton's tyrosine kinase and methods of use thereof | 詹森药业有限公司 | 2022-09-09 | — | — | CN | disclosed |