Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9329947 | 0.80 | MEN1 (0.35) | EPHX1BCHEOPRM1ALDH1A1TDP1 | |
| SCHEMBL8680907 | 0.80 | EPHX1 (0.53) | EPHX1BCHEOPRM1ALDH1A1THRB | |
| SCHEMBL9332542 | 0.78 | BCHE (0.37) | EPHX1BCHE | |
| SCHEMBL9333182 | 0.75 | SMN1; SMN2 (0.55) | EPHX1ALDH1A1ATML3MBTL1 | |
| SCHEMBL8682105 | 0.74 | CHRM1 (0.44) | BCHEOPRM1CHRNB2CHRNA4 | |
| SCHEMBL17629524 | 0.73 | CHRNB2 (0.33) | ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL2788345 | 0.73 | CHRNB2 (0.33) | ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL6695503 | 0.73 | CHRM2 (0.39) | ALDH1A1 | |
| SCHEMBL9348800 | 0.73 | CYP3A4 (0.42) | TDP1L3MBTL1 | |
| SCHEMBL9330666 | 0.73 | CHRM3 (0.47) | EPHX1KCNA3GAAALDH1A1ATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0366004-B1 | Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof | BOEHRINGER MANNHEIM GMBH (DE) | 1994-03-30 | — | — | EP | disclosed |