Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL11058962 | 0.81 | TSHR (0.36) | ALDH1A1PTGS2 | |
| SCHEMBL1922340 | 0.78 | CA12 (0.42) | ALDH1A1 | |
| SCHEMBL11053542 | 0.75 | CYP3A4 (0.37) | ALDH1A1PTGS2 | |
| SCHEMBL2926731 | 0.75 | CA12 (0.36) | ALDH1A1PTGS2 | |
| SCHEMBL14394578 | 0.73 | PTGS2 (0.36) | ALDH1A1PTGS2 | |
| SCHEMBL8460569 | 0.73 | ALDH1A1 (0.37) | ALDH1A1PTGS2 | |
| Hydrochloric Acid SCHEMBL7860680 | 0.73 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL12433420 | 0.72 | ALDH1A1 (0.42) | ALDH1A1PTGS2 | |
| SCHEMBL29227567 | 0.72 | ALDH1A1 (0.42) | ALDH1A1PTGS2 | |
| SCHEMBL324571 | 0.72 | — | — |
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-4448587-A | ALKYL NITRATES AND ALKOXYALKYL NITRATES AS ADDITIVES | ETHYL CORPORATION (US) | 1984-05-15 | — | — | US | disclosed |