Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27609042 | 0.77 | KDM4E (0.39) | ERN1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL27590514 | 0.74 | ALDH1A1 (0.37) | ERN1KDM4EALDH1A1CYP3A4CA2 | |
| SCHEMBL27590519 | 0.71 | ALDH1A1 (0.37) | ERN1KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL27699172 | 0.66 | — | — | |
| SCHEMBL1047549 | 0.61 | ALDH1A1 (0.53) | ERN1KDM4EALDH1A1CYP3A4MAPK1 | |
| SCHEMBL27590548 | 0.61 | ALDH1A1 (0.33) | ALDH1A1CA2 | |
| 2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 | 0.61 | ERN1 (0.74) | ERN1KDM4EALDH1A1CYP3A4ABCG2 | |
| SCHEMBL4945362 | 0.60 | ALDH1A1 (0.60) | ERN1KDM4EALDH1A1CYP3A4HPGD | |
| 2,4,6-Trimethoxybenzaldehyde SCHEMBL28687257 | 0.59 | ERN1 (0.71) | ERN1KDM4EALDH1A1CYP3A4ABCG2 | |
| SCHEMBL11695646 | 0.58 | ACHE (0.47) | ALDH1A1CYP3A4GAACA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1561212-A | Benzimidazolone Derivatives as Muscarinic Agents | ACADIA PHARM INC (US) | 2005-01-05 | — | — | CN | disclosed |