Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 2/20 | 0.55 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.55 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
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 SCHEMBL7061276 | 0.95 | GABBR2 (0.50) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| SCHEMBL7062862 | 0.90 | GABBR2 (0.56) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| Butane SCHEMBL9226632 | 0.86 | GABBR2 (0.47) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| SCHEMBL10001168 | 0.79 | GABBR2 (0.68) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| Butane SCHEMBL5669981 | 0.78 | HMGCR (0.37) | GABBR2GABBR1CYP1A2CYP2C9ALOX5 | |
| Butane SCHEMBL5671319 | 0.78 | NR5A2 (0.38) | GABBR2GABBR1GPR55TNFRSF1APTGS2 | |
| SCHEMBL6910728 | 0.77 | GABBR2 (0.54) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| SCHEMBL6910438 | 0.77 | GABBR2 (0.60) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| SCHEMBL6910765 | 0.76 | GABBR2 (0.52) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| SCHEMBL9657108 | 0.75 | GABBR2 (0.72) | GABBR2GABBR1GPR55TNFRSF1APTGS1 |
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-2004026245-A2 | SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | disclosed |