Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL23302256 | 0.89 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL11696421 | 0.89 | ALDH1A1 (0.42) | ALDH1A1ACHEEPHX1 | |
| SCHEMBL19094346 | 0.87 | — | — | |
| Ethylene Glycol SCHEMBL6564853 | 0.87 | GBA1 (0.32) | ALDH1A1 | |
| Tetrahydrofuran SCHEMBL23249575 | 0.84 | ALDH1A1 (0.47) | ALDH1A1ACHEEPHX1 | |
| Tetrahydrofuran SCHEMBL21484246 | 0.82 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL9437253 | 0.79 | ALDH1A1 (0.47) | ALDH1A1ACHE | |
| SCHEMBL8217464 | 0.79 | — | — | |
| SCHEMBL5945183 | 0.79 | — | — | |
| Dioxane SCHEMBL1831159 | 0.77 | TTR (0.38) | ALDH1A1ACHEEPHX1 |
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-5502151-A | REACTION OF AMINOBENZOATE ENDCAPPED POLYETHER WITH ISOCYANATE | HODOGAYA CHEMICAL CO., LTD. (JP) | 1996-03-26 | — | — | US | disclosed |