Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 9/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10158082 | 0.90 | GSR (0.44) | GSRCA2ALDH1A1 | |
| SCHEMBL10158087 | 0.90 | GSR (0.44) | GSRCA2ALDH1A1 | |
| SCHEMBL10157532 | 0.74 | GSR (0.42) | GSRCA2ALDH1A1 | |
| SCHEMBL11061633 | 0.69 | GSR (0.50) | GSRCA2ALDH1A1 | |
| SCHEMBL13310210 | 0.69 | GSR (0.35) | GSRCA2ALDH1A1 | |
| SCHEMBL13310160 | 0.68 | GSR (0.40) | GSRCA2ALDH1A1 | |
| SCHEMBL18934897 | 0.66 | NOS3 (0.31) | — | |
| SCHEMBL13310164 | 0.65 | GSR (0.38) | GSRCA2ALDH1A1 | |
| SCHEMBL10157574 | 0.65 | GSR (0.48) | GSRCA2ALDH1A1 | |
| SCHEMBL2410508 | 0.65 | GSR (0.54) | GSRCA2ALDH1A1 |
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-8119806-B2 | Cicletanine derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-02-21 | — | — | US | disclosed |