Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 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 SCHEMBL8011897 | 0.99 | OPRK1 (0.35) | HSD17B1OPRK1HTR7HTR1AHSD17B2 | |
| SCHEMBL7588577 | 0.88 | HSD17B1 (0.35) | HSD17B1HSD17B2ESR2ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL8014383 | 0.87 | HSD17B1 (0.34) | HSD17B1HSD17B2ESR2ADRA2AADRA2B | |
| SCHEMBL7591721 | 0.85 | SLC6A4 (0.41) | HTR7ADRA2AADRA2BADRA2COPRD1 | |
| SCHEMBL7591741 | 0.84 | MTNR1A (0.44) | HSD17B1OPRK1HTR7HTR1AHSD17B2 | |
| Hydrochloric Acid SCHEMBL8011602 | 0.84 | SLC6A4 (0.40) | HTR7ADRA2AADRA2BADRA2COPRD1 | |
| SCHEMBL7592147 | 0.84 | HTR7 (0.45) | HSD17B1HTR7HTR1AHSD17B2ADRA2A | |
| Hydrochloric Acid SCHEMBL8010759 | 0.83 | MTNR1A (0.43) | HSD17B1OPRK1HTR1AHSD17B2ADRA2A | |
| SCHEMBL7587254 | 0.83 | MAPT (0.41) | HSD17B1HTR7HSD17B2ESR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8018161 | 0.83 | HTR7 (0.44) | HSD17B1HTR7HTR1AHSD17B2ADRA2A |
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 |