Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.40 |
| ▸ | GAPDH | P04406 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 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 SCHEMBL8017915 | 0.99 | HSD17B1 (0.39) | HSD17B1HSD17B2GAPDHOPRK1ESR1 | |
| SCHEMBL27507099 | 0.87 | MTNR1A (0.39) | OPRK1ESR1CYP1A2CYP2D6ESR2 | |
| SCHEMBL7591741 | 0.86 | MTNR1A (0.44) | HSD17B1HSD17B2OPRK1CYP1A2CYP3A4 | |
| SCHEMBL7584146 | 0.86 | PBRM1 (0.40) | HSD17B1HSD17B2OPRK1ESR1CYP1A2 | |
| SCHEMBL7588665 | 0.86 | ESR1 (0.40) | HSD17B1HSD17B2ESR1ESR2CHRNB4 | |
| Hydrochloric Acid SCHEMBL8010759 | 0.85 | MTNR1A (0.43) | HSD17B1HSD17B2OPRK1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8017505 | 0.85 | PBRM1 (0.39) | HSD17B1HSD17B2OPRK1ESR1CYP1A2 | |
| SCHEMBL7588071 | 0.85 | TDP2 (0.41) | HSD17B1HSD17B2OPRK1ESR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL8017994 | 0.85 | ESR1 (0.39) | HSD17B1HSD17B2ESR1ESR2CHRNB4 | |
| SCHEMBL7585672 | 0.84 | OPRK1 (0.46) | HSD17B1HSD17B2OPRK1ESR1CYP3A4 |
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 |