Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 4/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MC3R | P41968 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8016598 | 0.99 | LMNA (0.36) | ADRA2AADRA2BADRA2CALDH1A1CHRM2 | |
| SCHEMBL7610138 | 0.89 | HPGD (0.37) | ADRA2AADRA2BADRA2COPRK1BCHE | |
| Hydrochloric Acid SCHEMBL8016754 | 0.88 | HPGD (0.36) | ADRA2AADRA2BADRA2COPRK1BCHE | |
| SCHEMBL7605203 | 0.80 | MAPT (0.39) | ALDH1A1CYP2D6HSD17B1HSD17B2LMNA | |
| Hydrochloric Acid SCHEMBL8022870 | 0.79 | MAPT (0.38) | ALDH1A1CYP2D6HSD17B1HSD17B2LMNA | |
| SCHEMBL7604442 | 0.79 | HSD17B1 (0.33) | ALDH1A1CYP2D6HSD17B1HSD17B2PIK3CA | |
| Hydrochloric Acid SCHEMBL8016502 | 0.78 | PIK3CA (0.33) | ALDH1A1HSD17B1HSD17B2PIK3CA | |
| SCHEMBL7591741 | 0.78 | MTNR1A (0.44) | ADRA2AADRA2BADRA2CALDH1A1CHRM2 | |
| SCHEMBL7582908 | 0.78 | CHRM2 (0.41) | ADRA2AADRA2BADRA2CALDH1A1CHRM2 | |
| SCHEMBL3823892 | 0.78 | CYP2A6 (0.45) | ADRA2AADRA2BADRA2CALDH1A1CHRM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100376564-C | Substituted heterocyclic benzoeycloalkenes and the use thereof as substances having analgesic effect | GRUENENTHAL CHEMIE (DE) | 2008-03-26 | — | — | CN | disclosed |
| EP-0922703-B1 | Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds | GRUENENTHAL GMBH (DE) | 2002-12-04 | — | — | EP | disclosed |
| CN-1221743-A | Substituted heterocyclic benzoeycloalkenes and the use thereof as substances having analgesic effect | GRUENENTHAL CHEMIE (DE) | 1999-07-07 | — | — | CN | disclosed |
| EP-0922703-A1 | Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds | Grünenthal GmbH (DE) | 1999-06-16 | — | — | EP | disclosed |