Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL17873201 | 0.84 | ALDH1A1 (0.67) | ALDH1A1TSHRMAPK1 | |
| Acetonitrile SCHEMBL11710897 | 0.84 | ALDH1A1 (0.67) | ALDH1A1TSHRMAPK1 | |
| Water SCHEMBL5799352 | 0.83 | — | — | |
| Water SCHEMBL29870745 | 0.83 | — | — | |
| Ethylenediamine SCHEMBL9462003 | 0.80 | — | — | |
| Ethylenediamine SCHEMBL11707738 | 0.80 | TSHR (0.64) | ALDH1A1TSHR | |
| SCHEMBL757716 | 0.79 | — | — | |
| SCHEMBL27327 | 0.79 | — | — | |
| SCHEMBL1773428 | 0.79 | — | — | |
| SCHEMBL175732 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TSHRMAPK1 |
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-4026831-A | ADHESIVES, PAINT RESINS, ELECTROSTATIC INHIBITORS, RUST INHIBITORS | MIYOSHI YUSHI KABUSHIKI KAISHA (JA) | 1977-05-31 | — | — | US | disclosed |