Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL376713 | 0.85 | — | — | |
| SCHEMBL88005 | 0.81 | ALDH1A1 (0.54) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL9487265 | 0.79 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL2543501 | 0.79 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2141106 | 0.79 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL8845450 | 0.79 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL9487258 | 0.79 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL9245352 | 0.79 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL8985064 | 0.79 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL4663814 | 0.77 | ALDH1A1 (0.39) | ALDH1A1DPP4SMN1; SMN2 |
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-2016100101-A1 | RUTHENIUM-BASED METATHESIS PRE-CATALYST COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |