Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 2/20 | 0.46 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 3/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.38 |
| ▸ | PTGES | O14684 | 2/20 | 0.38 |
| ▸ | STAT3 | P40763 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | TOP2A | P11388 | 2/20 | 0.38 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL6917883 | 0.91 | GABBR2 (0.50) | GABBR2GABBR1GPR55NPSR1BACE1 | |
| SCHEMBL6910728 | 0.87 | GABBR2 (0.54) | GABBR2GABBR1GPR55NPSR1BACE1 | |
| Butane SCHEMBL9390678 | 0.83 | GABBR2 (0.47) | GABBR2GABBR1GPR55NPSR1MAOA | |
| SCHEMBL4450576 | 0.80 | GABBR2 (0.68) | GABBR2GABBR1GPR55NPSR1BACE1 | |
| SCHEMBL4450572 | 0.80 | GABBR2 (0.68) | GABBR2GABBR1GPR55NPSR1BACE1 | |
| SCHEMBL6910731 | 0.78 | GABBR2 (0.55) | GABBR2GABBR1GPR55NPSR1BACE1 | |
| SCHEMBL6910725 | 0.78 | GABBR2 (0.55) | GABBR2GABBR1GPR55NPSR1BACE1 | |
| Butane SCHEMBL7061276 | 0.76 | GABBR2 (0.50) | GABBR2GABBR1GPR55NPSR1MAOA | |
| SCHEMBL9224042 | 0.76 | GABBR2 (0.47) | GABBR2GABBR1GPR55NPSR1BACE1 | |
| Butane SCHEMBL6683604 | 0.76 | HMGCR (0.37) | GABBR2GABBR1NPSR1BACE1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0638084-A1 | SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SYMPHAR S.A. (CH) | 1995-02-15 | — | — | EP | claimed |