Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 12/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 12/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 SCHEMBL8016502 | 0.99 | PIK3CA (0.33) | HSD17B1HSD17B2PIK3CACHRNB4CHRNA3 | |
| SCHEMBL7606364 | 0.91 | ESR1 (0.40) | HSD17B1HSD17B2PIK3CACHRNB4CHRNA3 | |
| SCHEMBL7610138 | 0.90 | HPGD (0.37) | HSD17B1HSD17B2PIK3CACHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL8023704 | 0.90 | ESR1 (0.40) | HSD17B1HSD17B2PIK3CAESR1ESR2 | |
| Hydrochloric Acid SCHEMBL8016754 | 0.89 | HPGD (0.36) | HSD17B1HSD17B2PIK3CACHRNB4CHRNA3 | |
| SCHEMBL7615755 | 0.89 | KDM4E (0.45) | HSD17B1HSD17B2ESR1ESR2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8020664 | 0.88 | KDM4E (0.44) | HSD17B1HSD17B2ALDH1A1ESR1ESR2 | |
| SCHEMBL7588665 | 0.80 | ESR1 (0.40) | HSD17B1HSD17B2CHRNB4CHRNA3ESR1 | |
| SCHEMBL7609641 | 0.79 | ADRA2A (0.36) | HSD17B1HSD17B2PIK3CAALDH1A1CYP2D6 | |
| Hydrochloric Acid SCHEMBL8017994 | 0.79 | ESR1 (0.39) | HSD17B1HSD17B2CHRNB4CHRNA3ESR1 |
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 |