Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDAH1 | O94760 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7972222 | 0.70 | GABRR1 (0.34) | ALDH1A1 | |
| SCHEMBL6510864 | 0.69 | ALDH1A1 (0.40) | DDAH1ALDH1A1TSHR | |
| SCHEMBL7975676 | 0.68 | ALDH1A1 (0.33) | DDAH1ALDH1A1 | |
| SCHEMBL9279317 | 0.67 | GABRR1 (0.37) | — | |
| SCHEMBL2634911 | 0.67 | ALDH1A1 (0.41) | DDAH1ALDH1A1TSHR | |
| SCHEMBL1911564 | 0.65 | — | — | |
| SCHEMBL3327687 | 0.63 | ALDH1A1 (0.48) | DDAH1ALDH1A1TSHR | |
| SCHEMBL29781019 | 0.63 | ALDH1A1 (0.38) | DDAH1ALDH1A1TSHR | |
| SCHEMBL27643393 | 0.63 | ALDH1A1 (0.40) | DDAH1ALDH1A1 | |
| SCHEMBL19879559 | 0.62 | TSHR (0.39) | DDAH1ALDH1A1TSHR |
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-2001068647-A1 | MEDICAMENTS AGAINST VIRAL DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-09-20 | — | — | WO | disclosed |