Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 15/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 13/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 12/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
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 SCHEMBL7870812 | 0.99 | OPRM1 (0.39) | OPRM1OPRK1OPRD1HRH3ESR1 | |
| SCHEMBL6934582 | 0.87 | HRH3 (0.36) | OPRM1OPRK1OPRD1HRH3SLC6A4 | |
| Hydrochloric Acid SCHEMBL7872718 | 0.86 | OPRM1 (0.37) | OPRM1OPRK1OPRD1HRH3SLC6A4 | |
| SCHEMBL6934469 | 0.86 | OPRM1 (0.41) | OPRM1OPRK1OPRD1ESR1ESR2 | |
| SCHEMBL6934080 | 0.85 | OPRK1 (0.40) | OPRM1OPRK1OPRD1 | |
| Hydrochloric Acid SCHEMBL7874351 | 0.85 | OPRM1 (0.42) | OPRM1OPRK1OPRD1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7876987 | 0.84 | OPRK1 (0.41) | OPRM1OPRK1OPRD1 | |
| SCHEMBL6936855 | 0.82 | OPRK1 (0.43) | OPRM1OPRK1OPRD1 | |
| Hydrochloric Acid SCHEMBL7874347 | 0.81 | OPRM1 (0.44) | OPRM1OPRK1OPRD1 | |
| SCHEMBL6934590 | 0.81 | DRD3 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1010689-B1 | Substituted cycloheptenes, their preparation and use | GRUENENTHAL GMBH (DE) | 2003-01-15 | — | — | EP | claimed |
| EP-1010689-A1 | Substituted cycloheptenes, their preparation and use | Grünenthal GmbH (DE) | 2000-06-21 | — | — | EP | claimed |
| EP-1010689-B1 | Substituted cycloheptenes, their preparation and use | GRUENENTHAL GMBH (DE) | 2003-01-15 | — | — | EP | disclosed |
| EP-1010689-A1 | Substituted cycloheptenes, their preparation and use | Grünenthal GmbH (DE) | 2000-06-21 | — | — | EP | disclosed |