Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3795214 | 0.87 | IDO1 (0.34) | — | |
| SCHEMBL3799010 | 0.82 | ALDH1A1 (0.48) | ALDH1A1ERN1 | |
| SCHEMBL22097553 | 0.70 | IDO1 (0.33) | ALDH1A1 | |
| SCHEMBL4190146 | 0.68 | PDE2A (0.42) | ALDH1A1 | |
| SCHEMBL10800709 | 0.67 | ALDH1A1 (0.48) | ALDH1A1ERN1 | |
| SCHEMBL29556567 | 0.66 | ALDH1A1 (0.52) | ALDH1A1ERN1 | |
| SCHEMBL820295 | 0.66 | ALDH1A1 (0.52) | ALDH1A1ERN1 | |
| SCHEMBL17012159 | 0.66 | ALDH1A1 (0.43) | ALDH1A1S1PR1 | |
| SCHEMBL29256552 | 0.65 | PDE2A (0.51) | ALDH1A1 | |
| SCHEMBL29256553 | 0.65 | PDE2A (0.51) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2120898-A1 | CALCILYTIC COMPOUNDS | SmithKline Beecham Corporation (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008077009-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-06-26 | — | — | WO | disclosed |