Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.49 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.48 |
| ▸ | CDC25A | P30304 | 9/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8332447 | 1.00 | NR1H2 (0.49) | NR1H2NR1H3ASAH1CDC25ACES1 | |
| SCHEMBL8331683 | 1.00 | NR1H2 (0.49) | NR1H2NR1H3ASAH1CDC25ACES1 | |
| SCHEMBL6050329 | 0.98 | NR1H2 (0.46) | NR1H2NR1H3ASAH1CDC25ACES1 | |
| SCHEMBL5177139 | 0.85 | DRD3 (0.44) | NR1H2NR1H3ASAH1ALDH1A1ALDH2 | |
| SCHEMBL28660875 | 0.85 | NR1H2 (0.48) | NR1H2NR1H3ASAH1CDC25ACES1 | |
| SCHEMBL17077234 | 0.81 | HEXA (0.45) | ALDH1A1 | |
| SCHEMBL6214680 | 0.79 | DRD3 (0.40) | NR1H2NR1H3ASAH1CDC25ACES1 | |
| SCHEMBL27473685 | 0.79 | ALDH1A1 (0.40) | CES1ALDH1A1CA12CA9 | |
| SCHEMBL6329301 | 0.77 | DRD3 (0.43) | ALDH1A1CA12CA9 | |
| SCHEMBL6218797 | 0.77 | DRD3 (0.41) | NR1H2NR1H3ASAH1ALDH1A1CA12 |
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-5958903-A | CHOLINESTERASE INHIBITORS | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 1999-09-28 | — | — | US | disclosed |