Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL194332 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL10622871 | 0.87 | — | — | |
| Nitrous Acid SCHEMBL31735163 | 0.79 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL28807100 | 0.78 | — | — | |
| SCHEMBL28010153 | 0.69 | — | — | |
| Isopropyl Alcohol SCHEMBL27993089 | 0.68 | — | — | |
| Isopropyl Alcohol SCHEMBL7156569 | 0.68 | — | — | |
| Isopropyl Alcohol SCHEMBL27636053 | 0.66 | — | — | |
| SCHEMBL23160708 | 0.65 | — | — | |
| SCHEMBL10891909 | 0.62 | — | — |
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-108892617-A | A kind of preparation method of Isopropyl Nitrite | 青岛科技大学 | 2018-11-27 | — | — | CN | disclosed |