Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL28294558 | 0.97 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2PKMPIK3CDLMNA | |
| Tetrahydrofuran SCHEMBL165529 | 0.88 | — | — | |
| Tetrahydrofuran SCHEMBL154168 | 0.88 | — | — | |
| Tetrahydrofuran SCHEMBL16738662 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PKMLMNA | |
| Tetrahydrofuran SCHEMBL10806048 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PKMPIK3CDLMNA | |
| Isopropyl Alcohol SCHEMBL9004332 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PKMLMNA | |
| Tetrahydrofuran SCHEMBL6927933 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PKMPIK3CDLMNA | |
| Tetrahydrofuran SCHEMBL11690381 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PKMPIK3CDLMNA | |
| Tetrahydrofuran SCHEMBL2143001 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PKMLMNA | |
| Acetone SCHEMBL2230779 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PKMPIK3CDLMNA |
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-109715616-A | Surfactant system for crystallizing organic compounds | 诺华股份有限公司 | 2019-05-03 | — | — | CN | disclosed |