Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 2/20 | 0.50 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | HMGCR | P04035 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6910728 | 0.96 | GABBR2 (0.54) | GABBR2GABBR1GPR55NPSR1TNFRSF1A | |
| Butane SCHEMBL9390678 | 0.92 | GABBR2 (0.47) | GABBR2GABBR1GPR55NPSR1TNFRSF1A | |
| Butane SCHEMBL9227372 | 0.91 | GABBR2 (0.46) | GABBR2GABBR1GPR55NPSR1TNFRSF1A | |
| SCHEMBL6910725 | 0.87 | GABBR2 (0.55) | GABBR2GABBR1GPR55NPSR1TNFRSF1A | |
| SCHEMBL6910731 | 0.87 | GABBR2 (0.55) | GABBR2GABBR1GPR55NPSR1TNFRSF1A | |
| Butane SCHEMBL6683604 | 0.85 | HMGCR (0.37) | GABBR2GABBR1NPSR1PTGS1PTGS2 | |
| Butane SCHEMBL7061276 | 0.80 | GABBR2 (0.50) | GABBR2GABBR1GPR55NPSR1TNFRSF1A | |
| Butane SCHEMBL5662787 | 0.80 | GABBR2 (0.33) | GABBR2GABBR1GPR55 | |
| Butane SCHEMBL9219876 | 0.79 | HMGCR (0.44) | GABBR2GABBR1GPR55NPSR1NR1I2 | |
| Butane SCHEMBL9227305 | 0.78 | TOP2A (0.36) | NPSR1PTGS1PTGS2MAOAMAOB |
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 3 patents. 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 |
| WO-2004026245-A2 | SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | disclosed |
| EP-0638084-A1 | SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SYMPHAR S.A. (CH) | 1995-02-15 | — | — | EP | disclosed |