Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 4/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 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 SCHEMBL8018678 | 0.99 | ALDH1A1 (0.38) | PTGS2ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL7605210 | 0.89 | ESR1 (0.44) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL8016570 | 0.88 | ESR1 (0.43) | ESR1ESR2 | |
| SCHEMBL7605957 | 0.83 | ESR1 (0.52) | ALDH1A1KDM4EMAPTRAB9AGAA | |
| SCHEMBL7606019 | 0.82 | OPRD1 (0.35) | PTGS2MAPTHSD17B1HSD17B2 | |
| Hydrochloric Acid SCHEMBL8006771 | 0.81 | OPRD1 (0.35) | PTGS2MAPTHSD17B1HSD17B2 | |
| SCHEMBL7591741 | 0.81 | MTNR1A (0.44) | ALDH1A1KDM4EMAPTHTR2BADRA2A | |
| SCHEMBL7582908 | 0.81 | CHRM2 (0.41) | ALDH1A1KDM4EADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL8010759 | 0.80 | MTNR1A (0.43) | ALDH1A1KDM4EMAPTHTR2BADRA2A | |
| Hydrochloric Acid SCHEMBL8017973 | 0.80 | CHRM2 (0.41) | ALDH1A1KDM4EADRA2AADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0922703-A1 | Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds | Grünenthal GmbH (DE) | 1999-06-16 | — | — | EP | disclosed |