Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 14/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10916938 | 1.00 | MAOB (0.48) | MAOBCYP19A1SIGMAR1HTR1APKM | |
| Hydrochloric Acid SCHEMBL10916087 | 0.99 | MAOB (0.47) | MAOBCYP19A1SIGMAR1HTR1A | |
| Hydrochloric Acid SCHEMBL10917082 | 0.82 | METAP1 (0.43) | MAOBCYP19A1 | |
| Hydrochloric Acid SCHEMBL10916524 | 0.81 | CYP19A1 (0.51) | MAOBCYP19A1PKM | |
| Hydrochloric Acid SCHEMBL10914965 | 0.79 | DAO (0.39) | MAOBCYP19A1 | |
| Hydrochloric Acid SCHEMBL10915392 | 0.79 | CYP19A1 (0.34) | MAOBCYP19A1 | |
| SCHEMBL7153929 | 0.78 | CYP19A1 (0.56) | MAOBCYP19A1SIGMAR1PKMTSHR | |
| SCHEMBL6775349 | 0.76 | MAOB (0.61) | MAOBCYP19A1SIGMAR1HTR1A | |
| SCHEMBL7604495 | 0.76 | MAOB (0.61) | MAOBCYP19A1SIGMAR1HTR1A | |
| SCHEMBL31073649 | 0.76 | MAOB (0.61) | MAOBCYP19A1SIGMAR1HTR1A |
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-0922703-B1 | Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds | GRUENENTHAL GMBH (DE) | 2002-12-04 | — | — | EP | disclosed |
| US-6013809-A | ANALGESICS | GRUENENTHAL GMBH (DE) | 2000-01-11 | — | — | US | disclosed |
| EP-0922703-A1 | Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds | Grünenthal GmbH (DE) | 1999-06-16 | — | — | EP | disclosed |