Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL5364285 | 0.98 | ALDH1A1 (0.38) | ALDH1A1GAANPC1MAPTRAB9A | |
| Cyclopropane SCHEMBL3263198 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTCA1CA2CA9 | |
| SCHEMBL21443885 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTCA1CA2CA9 | |
| Cyclohexane SCHEMBL16592775 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTCA1CA2CA9 | |
| SCHEMBL5974117 | 0.77 | ALDH1A1 (0.39) | ALDH1A1GAANPC1MAPTRAB9A | |
| SCHEMBL5974050 | 0.74 | ALDH1A1 (0.40) | ALDH1A1GAANPC1MAPTRAB9A | |
| Bromide SCHEMBL28391750 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1450940 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1451323 | 0.74 | — | — | |
| SCHEMBL5511391 | 0.74 | ALDH1A1 (0.33) | ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0962434-B1 | Process for the preparation of aromatic olefins using palladium catalysts containing phosphite ligands | DEGUSSA (DE) | 2002-11-27 | — | — | EP | claimed |