Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 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 | |
|---|---|---|---|---|
| Propionitrile SCHEMBL2988761 | 1.00 | — | — | |
| Propionitrile SCHEMBL27958978 | 0.89 | — | — | |
| Propionitrile SCHEMBL15170014 | 0.89 | ALDH1A1 (0.69) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Propionitrile SCHEMBL14482752 | 0.89 | ALDH1A1 (0.69) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Propionitrile SCHEMBL3383242 | 0.85 | — | — | |
| Propanol SCHEMBL28762423 | 0.85 | — | — | |
| Butyl Alcohol SCHEMBL27651326 | 0.84 | — | — | |
| 1,4-Butanediol SCHEMBL28057465 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Propanol SCHEMBL387717 | 0.81 | — | — | |
| Propanol SCHEMBL10589894 | 0.81 | — | — |
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-116272944-A | Hydrotalcite-based strong-alkalinity solid catalyst and method for catalyzing alcohol propionitrile alkylation by using same | 常州大学 | 2023-06-23 | — | — | CN | disclosed |