Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 9/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 9/20 | 0.41 |
| ▸ | TDP2 | O95551 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
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 SCHEMBL8012131 | 0.99 | OPRK1 (0.45) | OPRK1HSD17B1HSD17B2TDP2CYP3A4 | |
| SCHEMBL7587708 | 0.90 | OPRK1 (0.46) | OPRK1HSD17B1HSD17B2TDP2CYP3A4 | |
| SCHEMBL7584146 | 0.90 | PBRM1 (0.40) | OPRK1HSD17B1HSD17B2TDP2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8013584 | 0.89 | OPRK1 (0.45) | OPRK1HSD17B1HSD17B2TDP2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8017505 | 0.89 | PBRM1 (0.39) | OPRK1HSD17B1HSD17B2TDP2CYP3A4 | |
| SCHEMBL7591741 | 0.87 | MTNR1A (0.44) | OPRK1HSD17B1HSD17B2TDP2CYP3A4 | |
| SCHEMBL7588246 | 0.86 | OPRK1 (0.40) | OPRK1HSD17B1HSD17B2OPRD1 | |
| Hydrochloric Acid SCHEMBL8010759 | 0.86 | MTNR1A (0.43) | OPRK1HSD17B1HSD17B2TDP2CYP3A4 | |
| SCHEMBL7588071 | 0.86 | TDP2 (0.41) | OPRK1HSD17B1HSD17B2TDP2CYP3A4 | |
| SCHEMBL7586089 | 0.85 | OPRK1 (0.36) | OPRK1ESR1 |
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-0864559-B1 | Substituted amino compounds and their use as analgesic active substances | GRUENENTHAL GMBH (DE) | 2002-06-05 | — | — | EP | disclosed |
| CN-1197059-A | Substituted amino compounds and their use as substances having analgesic effect | GRUENENTHAL GMBH (DE) | 1998-10-28 | — | — | CN | disclosed |
| EP-0864559-A1 | Substituted amino compounds and their use as analgesic active substances | Grünenthal GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |