Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL19255396 | 0.80 | CYP2C19 (0.30) | CYP2C19 | |
| SCHEMBL12074463 | 0.76 | TSHR (0.33) | TSHRALDH1A1 | |
| SCHEMBL1709308 | 0.76 | TSHR (0.33) | TSHRALDH1A1 | |
| SCHEMBL269900 | 0.76 | TSHR (0.33) | TSHRALDH1A1 | |
| SCHEMBL12671808 | 0.74 | CHRM2 (0.35) | TSHRALDH1A1 | |
| SCHEMBL28942206 | 0.74 | TSHR (0.36) | TSHRALDH1A1 | |
| SCHEMBL108300 | 0.74 | TSHR (0.41) | TSHRALDH1A1 | |
| SCHEMBL5987016 | 0.72 | CA1 (0.32) | TSHR | |
| SCHEMBL22441112 | 0.72 | TSHR (0.31) | TSHR | |
| SCHEMBL12060203 | 0.72 | TSHR (0.31) | TSHR |
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-9732029-B2 | Nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2017-08-15 | — | — | US | disclosed |