Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL457362 | 0.86 | ALDH1A1 (0.61) | ALDH1A1MAPK1LMNA | |
| Propylene Glycol SCHEMBL8572846 | 0.75 | TDP1 (0.59) | ALDH1A1MAPK1LMNA | |
| Isopropyl Alcohol SCHEMBL29153000 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MAPK1LMNA | |
| Methyl Alcohol SCHEMBL1151710 | 0.73 | — | — | |
| SCHEMBL45371 | 0.73 | — | — | |
| SCHEMBL819800 | 0.73 | — | — | |
| SCHEMBL16516417 | 0.73 | — | — | |
| SCHEMBL6195 | 0.73 | — | — | |
| SCHEMBL6223 | 0.73 | — | — | |
| SCHEMBL8679785 | 0.73 | ALDH1A1 (1.00) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992002237-A1 | ANALOGS OF ENDOTHELIN | THE ROCKEFELLER UNIVERSITY (US) | 1992-02-20 | — | — | WO | disclosed |