Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 16/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 16/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
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 SCHEMBL8018596 | 0.99 | MAOA (0.44) | MAOAMAOBESR1ESR2PIK3CA | |
| SCHEMBL7605971 | 0.91 | ESR1 (0.49) | ESR1ESR2 | |
| SCHEMBL7605210 | 0.90 | ESR1 (0.44) | ESR1ESR2PIK3CA | |
| Hydrochloric Acid SCHEMBL8016456 | 0.90 | ESR1 (0.49) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL8016570 | 0.89 | ESR1 (0.43) | ESR1ESR2 | |
| SCHEMBL7607538 | 0.89 | ESR1 (0.47) | MAOBESR1ESR2 | |
| Hydrochloric Acid SCHEMBL8016453 | 0.88 | ESR1 (0.46) | MAOBESR1ESR2 | |
| SCHEMBL7611830 | 0.87 | OPRD1 (0.35) | MAOAMAOBESR1ESR2PIK3CA | |
| Hydrochloric Acid SCHEMBL8019741 | 0.86 | OPRD1 (0.34) | MAOAMAOBESR1ESR2PIK3CA | |
| SCHEMBL7611354 | 0.84 | MAOB (0.53) | MAOAMAOBESR1ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |