Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | EBP | Q15125 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 SCHEMBL8011710 | 0.99 | ESR1 (0.43) | ESR1MGLLKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7584106 | 0.94 | ESR1 (0.49) | ESR1MGLLKDM4EALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8014814 | 0.93 | ESR1 (0.48) | ESR1MGLLKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7586089 | 0.91 | OPRK1 (0.36) | ESR1MGLLKDM4EALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8010744 | 0.90 | OPRK1 (0.36) | ESR1MGLLKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7587708 | 0.85 | OPRK1 (0.46) | ESR1OPRK1 | |
| SCHEMBL7588665 | 0.85 | ESR1 (0.40) | ESR1 | |
| Hydrochloric Acid SCHEMBL8013584 | 0.84 | OPRK1 (0.45) | ESR1OPRK1 | |
| Hydrochloric Acid SCHEMBL8017994 | 0.84 | ESR1 (0.39) | ESR1 | |
| SCHEMBL7588071 | 0.84 | TDP2 (0.41) | ESR1OPRK1 |
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-0864559-B1 | Substituted amino compounds and their use as analgesic active substances | GRUENENTHAL GMBH (DE) | 2002-06-05 | — | — | EP | disclosed |
| EP-0864559-A1 | Substituted amino compounds and their use as analgesic active substances | Grünenthal GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |