Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL14779370 | 0.73 | ALDH1A1 (0.32) | ALDH1A1CYP2C19CA5ACA5B | |
| SCHEMBL6722261 | 0.71 | ALDH1A1 (0.30) | ALDH1A1CYP2C19 | |
| SCHEMBL21135949 | 0.69 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL16448762 | 0.69 | ALDH1A1 (0.38) | ALDH1A1 | |
| Sulfuric Acid SCHEMBL28491424 | 0.67 | CA5A (0.33) | CA5ACA5B | |
| SCHEMBL21135701 | 0.67 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL11037120 | 0.67 | CA1 (0.30) | CA5ACA5B | |
| Sulfuric Acid SCHEMBL8529594 | 0.65 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL23152606 | 0.65 | ALDH1A1 (0.39) | ALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL7006307 | 0.65 | ALDH1A1 (0.39) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0163320-B1 | POLYBASIC PROPANE SULPHONIC ACIDS AND THEIR SALTS, PROCESS FOR THEIR PRODUCTION AND THEIR USE | Akademie der Wissenschaften der DDR (DE) | 1988-03-30 | — | — | EP | disclosed |
| EP-0163320-A1 | Polybasic propane sulphonic acids and their salts, process for their production and their use | Akademie der Wissenschaften der DDR (DE) | 1985-12-04 | — | — | EP | disclosed |