Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.34 |
| ▸ | STK10 | O94804 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
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 SCHEMBL8016641 | 0.99 | ESR1 (0.34) | ESR1HSD17B2HSD17B1STK10GSK3B | |
| SCHEMBL7610116 | 0.85 | HSD17B1 (0.32) | ESR1HSD17B2HSD17B1ESR2 | |
| SCHEMBL7605966 | 0.85 | HSD17B1 (0.33) | HSD17B2HSD17B1HTR7 | |
| Hydrochloric Acid SCHEMBL8016575 | 0.84 | HSD17B1 (0.32) | ESR1HSD17B2HSD17B1ESR2 | |
| SCHEMBL7615755 | 0.77 | KDM4E (0.45) | ESR1HSD17B2HSD17B1STK10GSK3B | |
| SCHEMBL7607538 | 0.77 | ESR1 (0.47) | ESR1HSD17B2HSD17B1CYP19A1ESR2 | |
| Hydrochloric Acid SCHEMBL8020664 | 0.76 | KDM4E (0.44) | ESR1HSD17B2HSD17B1STK10GSK3B | |
| Hydrochloric Acid SCHEMBL8016453 | 0.76 | ESR1 (0.46) | ESR1CYP19A1ESR2 | |
| SCHEMBL7607781 | 0.76 | HSD17B2 (0.38) | ESR1HSD17B2HSD17B1STK10GSK3B | |
| Hydrochloric Acid SCHEMBL8006650 | 0.75 | HSD17B2 (0.37) | ESR1HSD17B2HSD17B1STK10GSK3B |
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 |