Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL13588557 | 0.79 | SLC22A6 (0.39) | TDP1 | |
| SCHEMBL5509970 | 0.79 | SLC22A6 (0.39) | TDP1 | |
| SCHEMBL6563687 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL18561859 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL14346986 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL13209297 | 0.75 | — | — | |
| SCHEMBL13303636 | 0.75 | — | — | |
| SCHEMBL279963 | 0.75 | — | — | |
| SCHEMBL14347044 | 0.74 | ALDH1A1 (0.43) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL13588558 | 0.73 | MMP1 (0.36) | — |
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-8791134-B2 | Nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2014-07-29 | — | — | US | disclosed |