Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5845965 | 0.69 | — | — | |
| SCHEMBL11583793 | 0.65 | ALDH1A1 (0.44) | ALDH1A1GAAMAPT | |
| SCHEMBL6841712 | 0.64 | — | — | |
| SCHEMBL8185572 | 0.63 | ALDH1A1 (0.42) | ALDH1A1GAAMAPT | |
| SCHEMBL24611134 | 0.61 | ALDH1A1 (0.41) | ALDH1A1GAAMAPT | |
| SCHEMBL24599585 | 0.61 | ALDH1A1 (0.41) | ALDH1A1GAAMAPT | |
| SCHEMBL2541299 | 0.59 | — | — | |
| SCHEMBL9703193 | 0.58 | — | — | |
| SCHEMBL19840207 | 0.57 | ALDH1A1 (0.37) | ALDH1A1GAAMAPT | |
| SCHEMBL10945910 | 0.57 | ALDH1A1 (0.37) | ALDH1A1GAAMAPT |
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-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |