Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 2/20 | 0.50 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | HMGCR | P04035 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | EEF2K | O00418 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL7062860 | 0.95 | GABBR2 (0.55) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| Butane SCHEMBL9226632 | 0.92 | GABBR2 (0.47) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| SCHEMBL7062862 | 0.85 | GABBR2 (0.56) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| Butane SCHEMBL5669981 | 0.85 | HMGCR (0.37) | GABBR2GABBR1HMGCRNPSR1CYP1A2 | |
| Butane SCHEMBL5671319 | 0.83 | NR5A2 (0.38) | GABBR2GABBR1GPR55TNFRSF1APTGS2 | |
| Butane SCHEMBL6917883 | 0.80 | GABBR2 (0.50) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| SCHEMBL6910438 | 0.78 | GABBR2 (0.60) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| Butane SCHEMBL9222761 | 0.78 | GABBR2 (0.48) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| Butane SCHEMBL7061565 | 0.77 | GABBR2 (0.53) | GABBR2GABBR1GPR55TNFRSF1APTGS1 | |
| Butane SCHEMBL9227372 | 0.76 | GABBR2 (0.46) | 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 2 patents. 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 | claimed |
| EP-0638084-A1 | SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SYMPHAR S.A. (CH) | 1995-02-15 | — | — | EP | claimed |