Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
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 SCHEMBL8012250 | 0.99 | ESR1 (0.45) | ESR1MAOAMAOBPRKCIESR2 | |
| SCHEMBL7588665 | 0.92 | ESR1 (0.40) | ESR1ESR2CHRNB4CHRNA3HSD17B1 | |
| Hydrochloric Acid SCHEMBL8017994 | 0.91 | ESR1 (0.39) | ESR1ESR2CHRNB4CHRNA3HSD17B1 | |
| SCHEMBL7584182 | 0.90 | ESR1 (0.40) | ESR1CHRNB4CHRNA3OPRK1OPRD1 | |
| Hydrochloric Acid SCHEMBL8011601 | 0.89 | ESR1 (0.39) | ESR1CHRNB4CHRNA3OPRK1OPRD1 | |
| SCHEMBL7587120 | 0.87 | CHRNB4 (0.40) | ESR1CHRNB4CHRNA3HSD17B1OPRK1 | |
| SCHEMBL7587127 | 0.87 | CHRNB4 (0.40) | ESR1CHRNB4CHRNA3HSD17B1OPRK1 | |
| Hydrochloric Acid SCHEMBL8014791 | 0.86 | CHRNB4 (0.39) | ESR1CHRNB4CHRNA3HSD17B1OPRK1 | |
| Hydrochloric Acid SCHEMBL8014796 | 0.86 | CHRNB4 (0.39) | ESR1CHRNB4CHRNA3HSD17B1OPRK1 | |
| SCHEMBL7588071 | 0.86 | TDP2 (0.41) | ESR1ESR2HSD17B1OPRK1OPRD1 |
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 |