Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 10/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2410553 | 0.93 | GSR (0.39) | GSRCA2ALDH1A1FFAR3BCHE | |
| SCHEMBL636593 | 0.93 | GSR (0.39) | GSRCA2ALDH1A1FFAR3BCHE | |
| SCHEMBL2410373 | 0.88 | GSR (0.38) | GSRCA2ALDH1A1FFAR3BCHE | |
| SCHEMBL16242400 | 0.84 | GSR (0.39) | GSRCA2ALDH1A1FFAR3BCHE | |
| SCHEMBL16242346 | 0.84 | GSR (0.39) | GSRCA2ALDH1A1FFAR3BCHE | |
| SCHEMBL16242333 | 0.84 | GSR (0.39) | GSRCA2ALDH1A1FFAR3BCHE | |
| SCHEMBL16242306 | 0.84 | GSR (0.39) | GSRCA2ALDH1A1FFAR3BCHE | |
| SCHEMBL637879 | 0.81 | GSR (0.37) | GSRCA2FFAR3 | |
| SCHEMBL16242338 | 0.81 | GSR (0.39) | GSRCA2ALDH1A1FFAR3BCHE | |
| SCHEMBL16242285 | 0.81 | GSR (0.39) | GSRCA2ALDH1A1FFAR3BCHE |
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 |