Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 5/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 5/20 | 0.49 |
| ▸ | SCN3A | Q9NY46 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8709003 | 0.89 | CHRM4 (0.47) | SCN1ASCN2ASCN3ACHRM3CHRM1 | |
| SCHEMBL8708999 | 0.89 | CHRM4 (0.47) | SCN1ASCN2ASCN3ACHRM3CHRM1 | |
| SCHEMBL1078049 | 0.86 | ALDH1A1 (0.57) | ALDH1A1MAPTSOAT1 | |
| SCHEMBL4640870 | 0.86 | — | — | |
| SCHEMBL14476943 | 0.85 | SCN1A (0.45) | SCN1ASCN2ASCN3AMEN1KMT2A | |
| SCHEMBL1023344 | 0.84 | SCN1A (0.53) | SCN1ASCN2ASCN3AMEN1KMT2A | |
| SCHEMBL10913308 | 0.82 | ALDH1A1 (0.40) | SCN1ASCN2ASCN3AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL28532026 | 0.82 | KMT2A (0.56) | SCN1ASCN2ASCN3AMEN1KMT2A | |
| SCHEMBL8534997 | 0.82 | TP53 (0.37) | SCN1ASCN2ASCN3AMEN1KMT2A | |
| SCHEMBL3949872 | 0.81 | HRH3 (0.44) | ALDH1A1 |
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 3 patents. 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 |
| EP-0366004-A1 | Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof | Roche Diagnostics GmbH (DE) | 1990-05-02 | — | — | EP | disclosed |
| US-4443452-A | ANTIULCER AGENTS | DR. KARL THOMAE GMBH (DE) | 1984-04-17 | — | — | US | disclosed |