Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.56 |
| ▸ | ABHD6 | Q9BV23 | 8/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19582436 | 0.92 | ESR1 (0.50) | ESR1ESR2ABHD6AKR1C3AKR1C1 | |
| SCHEMBL506963 | 0.90 | ESR1 (0.50) | ESR1ESR2ABHD6AKR1C3AKR1C1 | |
| SCHEMBL25604192 | 0.88 | ESR1 (0.56) | ESR1ESR2ABHD6BCL2L1BAD | |
| SCHEMBL25825897 | 0.86 | ABHD6 (0.47) | ESR1ESR2ABHD6BCL2L1BAD | |
| SCHEMBL23553488 | 0.85 | ESR1 (0.52) | ESR1ESR2ABHD6 | |
| SCHEMBL30814383 | 0.85 | ESR1 (0.52) | ESR1ESR2ABHD6 | |
| SCHEMBL1136171 | 0.85 | RIPK1 (0.58) | ABHD6AKR1C3AKR1C1RIPK1BCL2L1 | |
| SCHEMBL7402991 | 0.84 | ESR1 (0.51) | ESR1ESR2ABHD6RIPK1 | |
| SCHEMBL7641094 | 0.84 | ABHD6 (0.52) | ESR1ESR2ABHD6RIPK1PKM | |
| SCHEMBL772680 | 0.84 | ABHD6 (0.69) | ESR1ESR2ABHD6AKR1C3RIPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023125944-A1 | COMPOUND CONTAINING HETEROCYCLIC RING | 正大天晴药业集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |
| WO-2023088406-A1 | FUSED IMIDE DERIVATIVE | 正大天晴药业集团股份有限公司 | 2023-05-25 | — | — | WO | disclosed |
| 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 |