Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8064549 | 0.91 | ALDH1A1 (0.55) | ALDH1A1HSD11B1KDM4ETP53POLB | |
| SCHEMBL11778138 | 0.91 | ALDH1A1 (0.55) | ALDH1A1HSD11B1KDM4ETP53POLB | |
| SCHEMBL11539935 | 0.88 | ALDH1A1 (0.53) | ALDH1A1HSD11B1KDM4ETP53POLB | |
| SCHEMBL9625922 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HSD11B1KDM4ETP53POLB | |
| SCHEMBL28763753 | 0.82 | HSD11B1 (0.51) | ALDH1A1HSD11B1KDM4ETP53POLB | |
| SCHEMBL9625567 | 0.80 | ALDH1A1 (0.71) | ALDH1A1KDM4ETP53POLBGLA | |
| SCHEMBL21715106 | 0.79 | HSD11B1 (0.71) | ALDH1A1HSD11B1POLBHPGDALOX12 | |
| SCHEMBL1332360 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HSD11B1KDM4EHPGDALOX12 | |
| SCHEMBL3625848 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HSD11B1KDM4EHPGDALOX12 | |
| SCHEMBL917955 | 0.77 | ALDH1A1 (0.60) | ALDH1A1KDM4EHSD17B10HTTMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5442088-A | Reacting optically active S-homoserine lactone with hydrogen chloride in the presence of an alcohol, and reacting the resulting halogen substituted compound with a phosphorus compound | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-08-15 | — | — | US | disclosed |