Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 3/20 | 0.31 |
| ▸ | JAK1 | P23458 | 3/20 | 0.31 |
| ▸ | TYK2 | P29597 | 3/20 | 0.31 |
| ▸ | JAK3 | P52333 | 3/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL19941723 | 1.00 | PDE5A (0.36) | PDE5APDE1APDE1BPDE3BPDE1C | |
| SCHEMBL25429970 | 0.81 | FFAR2 (0.32) | FFAR2 | |
| SCHEMBL25433179 | 0.79 | — | — | |
| SCHEMBL7307418 | 0.78 | HRH2 (0.37) | PDE5APDE1APDE1BPDE3BPDE1C | |
| SCHEMBL10960154 | 0.76 | HRH2 (0.34) | PDE5APDE1APDE1BPDE3BPDE1C | |
| SCHEMBL20837156 | 0.72 | ARF6 (0.30) | — | |
| SCHEMBL19926124 | 0.71 | ALDH1A1 (0.44) | ALDH1A1LMNAPOLB | |
| SCHEMBL19941724 | 0.71 | ALDH1A1 (0.44) | ALDH1A1LMNAPOLB | |
| SCHEMBL5183935 | 0.67 | BRD4 (0.34) | — | |
| SCHEMBL22687259 | 0.67 | USP2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018039972-A1 | INHIBITORS OF CELLULAR METABOLIC PROCESSES | AGIOS PHARMACEUTICALS, INC. (US) | 2018-03-08 | — | — | WO | disclosed |