Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 9/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2409674 | 0.95 | GSR (0.44) | GSRCA2CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2410551 | 0.95 | GSR (0.44) | GSRCA2CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL636592 | 0.95 | GSR (0.44) | GSRCA2CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2410371 | 0.88 | GSR (0.42) | GSRCA2CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2408838 | 0.87 | GSR (0.44) | GSRCA2CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2414167 | 0.87 | GSR (0.44) | GSRCA2CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2408835 | 0.87 | GSR (0.44) | GSRCA2CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2416443 | 0.87 | GSR (0.44) | GSRCA2CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2409496 | 0.87 | GSR (0.44) | GSRCA2CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL2408735 | 0.83 | GSR (0.44) | GSRCA2CHRNB2CHRNA4CHRNB4 |
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 |