Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 8/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | CPT2 | P23786 | 1/20 | 0.39 |
| ▸ | CPT1A | P50416 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL8176141 | 0.79 | ESR1 (0.61) | ABHD6ESR1ESR2CPT2CPT1A | |
| SCHEMBL25604256 | 0.76 | ABHD6 (0.57) | ABHD6ESR1ESR2PKM | |
| SCHEMBL22366353 | 0.74 | ABHD6 (0.48) | ABHD6CPT2CPT1AUCHL1 | |
| SCHEMBL20873627 | 0.74 | ABHD6 (0.63) | ABHD6ESR1ESR2CPT2CPT1A | |
| SCHEMBL27248291 | 0.74 | BCL2L1 (0.39) | — | |
| SCHEMBL23553488 | 0.72 | ESR1 (0.52) | ABHD6ESR1ESR2PDE4BPDE4D | |
| SCHEMBL8177222 | 0.72 | ESR1 (0.56) | ABHD6ESR1ESR2PKM | |
| SCHEMBL30814383 | 0.72 | ESR1 (0.52) | ABHD6ESR1ESR2PDE4BPDE4D | |
| SCHEMBL7641094 | 0.71 | ABHD6 (0.52) | ABHD6ESR1ESR2PKMACACB | |
| SCHEMBL7402991 | 0.71 | ESR1 (0.51) | ABHD6ESR1ESR2 |
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 |