Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30264963 | 0.88 | ALDH1A1 (0.62) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL31246123 | 0.88 | ALDH1A1 (0.62) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL30265061 | 0.88 | ALDH1A1 (0.62) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| Alpha-Ionone SCHEMBL5590918 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| Alpha-Ionone SCHEMBL5591022 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| Alpha-Ionone SCHEMBL5591019 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| Alpha-Ionone SCHEMBL112671 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| Alpha-Ionone SCHEMBL5590917 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| Alpha-Ionone SCHEMBL901102 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| Alpha-Ionone SCHEMBL112670 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP3A4ALOX15TDP1KDM4E |
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-2021254811-A1 | IMPROVED PROCESS TO PRODUCE SPECIFIC α,β-UNSATURATED CARBOXYLATES | DSM IP ASSETS B.V. (NL) | 2021-12-23 | — | — | WO | disclosed |