Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 10/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.41 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 2/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14577383 | 0.84 | ERN1 (0.46) | ERN1ALDH1A1TSHRTLR2TLR1 | |
| SCHEMBL3966986 | 0.84 | CYP3A4 (0.42) | ERN1ALDH1A1TSHRCYP3A4MAPT | |
| SCHEMBL29397237 | 0.84 | CYP3A4 (0.42) | ERN1ALDH1A1TSHRCYP3A4MAPT | |
| SCHEMBL27165016 | 0.84 | ERN1 (0.52) | ERN1TLR2TLR1TLR6PADI4 | |
| SCHEMBL452160 | 0.82 | ERN1 (0.48) | ERN1ALDH1A1TSHRTLR2TLR1 | |
| SCHEMBL3065272 | 0.80 | ERN1 (0.46) | ERN1ALDH1A1TSHRTLR2TLR1 | |
| SCHEMBL4650198 | 0.80 | CYP3A4 (0.44) | ERN1ALDH1A1CYP3A4MAPTPADI4 | |
| SCHEMBL548044 | 0.79 | ALDH1A1 (0.46) | ERN1ALDH1A1TSHRCYP3A4MAPT | |
| SCHEMBL10748907 | 0.77 | ERN1 (0.52) | ERN1PADI4TRIM24TRIM33 | |
| SCHEMBL29818730 | 0.77 | ALDH1A1 (0.44) | ERN1ALDH1A1TSHRCYP3A4MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008142316-A1 | CYCLODEXTRINE OLIGOMERS AS VECTORS OF ACTIVATED MOLECULES | BIOCYDEX (FR) | 2008-11-27 | — | — | WO | disclosed |
| EP-0656362-B1 | Macrocyclic compounds and their use as pharmaceuticals | LILLY CO ELI (GB) | 1999-09-01 | — | — | EP | disclosed |
| US-5580900-A | TREATMENT OF DISEASES OF CENTRAL NERVOUS SYSTEM | LILLY INDUSTRIES LIMITED (GB) | 1996-12-03 | — | — | US | disclosed |
| US-5574158-A | CRYPT COMPOUNDS, NERVOUS SYSTEM DISORDERS, CHELATE COMPOUNDS | LILLY INDUSTRIES LIMITED (GB) | 1996-11-12 | — | — | US | disclosed |
| EP-0656362-A1 | Novel compounds | LILLY INDUSTRIES LIMITED (GB) | 1995-06-07 | — | — | EP | disclosed |