Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 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 | |
|---|---|---|---|---|
| SCHEMBL4598657 | 0.86 | CACNA1C (0.32) | PGRCACNA1CSCN5A | |
| SCHEMBL4442827 | 0.86 | CACNA1C (0.32) | PGRCACNA1CSCN5A | |
| SCHEMBL4556328 | 0.81 | AR (0.36) | PGR | |
| SCHEMBL5666994 | 0.81 | AR (0.36) | PGR | |
| SCHEMBL4598406 | 0.81 | AR (0.36) | PGR | |
| SCHEMBL4875009 | 0.78 | PGR (0.31) | PGR | |
| SCHEMBL4447224 | 0.77 | IMPDH2 (0.34) | PGR | |
| SCHEMBL4555957 | 0.74 | KMT2A (0.35) | — | |
| SCHEMBL4555136 | 0.74 | KMT2A (0.35) | — | |
| SCHEMBL4610345 | 0.73 | FFAR1 (0.36) | — |
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-2125825-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079139-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |