Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.61 |
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | CPT1A | P50416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8184973 | 0.79 | ABHD6 (0.47) | ESR1ESR2ABHD6PKMPDE4B | |
| SCHEMBL3895230 | 0.77 | ESR1 (1.00) | ESR1ESR2ABHD6HDAC6HDAC8 | |
| SCHEMBL23684567 | 0.77 | ESR1 (0.48) | ESR1ESR2ABHD6PKMPDE4B | |
| SCHEMBL3893409 | 0.74 | ESR1 (0.75) | ESR1ESR2ABHD6HDAC6HDAC8 | |
| SCHEMBL7854911 | 0.73 | ESR1 (0.70) | ESR1ESR2ABHD6PKMPDE4B | |
| SCHEMBL7847325 | 0.72 | ESR1 (0.85) | ESR1ESR2ABHD6HDAC6 | |
| SCHEMBL31164691 | 0.72 | ESR1 (0.90) | ESR1ESR2ABHD6PKM | |
| SCHEMBL373982 | 0.71 | HRH3 (0.59) | ESR1ESR2ABHD6PDE4BPDE4D | |
| SCHEMBL8176145 | 0.71 | ESR2 (1.00) | ESR1ESR2ABHD6PKMHDAC6 | |
| SCHEMBL4231312 | 0.70 | ESR2 (0.68) | ESR1ESR2ABHD6PKMHDAC6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6096752-A | Method for the preparation of tertiary amines, a compound useful therefor and alpha-2-receptor active tetrahydroisoquinoline derivatives | HEINONEN PETRI (FI) | 2000-08-01 | — | — | US | disclosed |
| US-5912342-A | SYNTHESIS OF COMBINATORIAL LIBRARIES BY COMPUTER CONTROLLED ROBOT | HEINONEN PETRI (FI) | 1999-06-15 | — | — | US | disclosed |
| EP-0910562-A2 | A METHOD FOR THE PREPARATION OF TERTIARY AMINES, A COMPOUND USEFUL THEREFOR AND ALPHA-2-RECEPTOR ACTIVE TETRAHYDROISOQUINOLINE DERIVATIVES | Oy Juvantia Pharma Ltd (FI) | 1999-04-28 | — | — | EP | disclosed |
| WO-1998051672-A2 | A METHOD FOR THE PREPARATION OF TERTIARY AMINES, A COMPOUND USEFUL THEREFOR AND ALPHA-2-RECEPTOR ACTIVE TETRAHYDROISOQUINOLINE DERIVATIVES | OY JUVANTIA PHARMA LTD. (FI) | 1998-11-19 | — | — | WO | disclosed |