Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.30 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL28220372 | 0.85 | DPP4 (0.42) | GAANOS3NOS2ALDH1A1THRB | |
| SCHEMBL6509490 | 0.81 | GAA (0.48) | GAANOS3NOS2TSHRALDH1A1 | |
| SCHEMBL21808051 | 0.75 | PDK1 (0.37) | PDK1CHRNB2CHRNA4GAANOS3 | |
| SCHEMBL20424144 | 0.75 | TSHR (0.42) | GAANOS3NOS2TSHRALDH1A1 | |
| SCHEMBL28219849 | 0.75 | TSHR (0.42) | GAANOS3NOS2TSHRALDH1A1 | |
| SCHEMBL1692767 | 0.74 | RAB9A (0.45) | CHRNB2CHRNA4TSHRALDH1A1POLB | |
| SCHEMBL26704173 | 0.74 | NR1H2 (0.37) | PDK1CHRNB2CHRNA4GAATSHR | |
| SCHEMBL1633241 | 0.73 | LMNA (0.56) | CHRNB2CHRNA4GAATSHRALDH1A1 | |
| SCHEMBL14752967 | 0.72 | — | — | |
| SCHEMBL20764801 | 0.71 | SMN1; SMN2 (0.34) | PDK1CHRNB2CHRNA4SMN1; SMN2 |
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-108137596-A | 1,2- dihydro -3H- pyrrolo-es [1,2-c] imidazoles -3- ketone antimicrobial compounds being substituted | 爱杜西亚药品有限公司 | 2018-06-08 | — | — | CN | disclosed |