Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 9/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 9/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.31 |
| ▸ | GABRE | P78334 | 1/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.31 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.31 |
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 SCHEMBL8023704 | 0.99 | ESR1 (0.40) | ESR1ESR2HSD17B1HSD17B2PIK3CA | |
| SCHEMBL7604442 | 0.91 | HSD17B1 (0.33) | ESR1ESR2HSD17B1HSD17B2PIK3CA | |
| Hydrochloric Acid SCHEMBL8016502 | 0.90 | PIK3CA (0.33) | ESR1ESR2HSD17B1HSD17B2PIK3CA | |
| SCHEMBL7610138 | 0.86 | HPGD (0.37) | HSD17B1HSD17B2PIK3CAOPRD1CHRNB4 | |
| Hydrochloric Acid SCHEMBL8016754 | 0.85 | HPGD (0.36) | HSD17B1HSD17B2PIK3CAOPRD1CHRNB4 | |
| SCHEMBL7615755 | 0.85 | KDM4E (0.45) | ESR1ESR2HSD17B1HSD17B2 | |
| Hydrochloric Acid SCHEMBL8020664 | 0.84 | KDM4E (0.44) | ESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL7605971 | 0.78 | ESR1 (0.49) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL8016456 | 0.77 | ESR1 (0.49) | ESR1ESR2 | |
| SCHEMBL7610116 | 0.76 | HSD17B1 (0.32) | ESR1ESR2HSD17B1HSD17B2 |
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-0922703-B1 | Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds | GRUENENTHAL GMBH (DE) | 2002-12-04 | — | — | EP | disclosed |
| EP-0922703-A1 | Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds | Grünenthal GmbH (DE) | 1999-06-16 | — | — | EP | disclosed |