Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2R | P25116 | 20/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | GPR183 | P32249 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL471689 | 0.90 | F2R (0.62) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL14203695 | 0.90 | F2R (0.62) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL13199850 | 0.90 | F2R (0.62) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL13610978 | 0.83 | F2R (0.62) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL12213125 | 0.78 | F2R (0.58) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL14203708 | 0.78 | F2R (0.58) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL16901528 | 0.77 | F2R (0.87) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL14203696 | 0.76 | F2R (0.56) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL13090681 | 0.76 | F2R (0.56) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL13603617 | 0.76 | F2R (0.58) | F2RABCB11ADORA3CHRM1SLC6A2 |
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-2399912-B1 | An exo-selective synthesis of himbacine analogs | MERCK SHARP & DOHME (US) | 2015-02-25 | — | — | EP | disclosed |
| EP-2399912-A2 | An exo-selective synthesis of himbacine analogs | Schering Corporation (US) | 2011-12-28 | — | — | EP | disclosed |