Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 2/20 | 0.58 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.58 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | HMGCR | P04035 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | RGS12 | O14924 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
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 SCHEMBL7061565 | 0.95 | GABBR2 (0.53) | GABBR2GABBR1EGFRTNFRSF1APTGS1 | |
| SCHEMBL7060630 | 0.91 | GABBR2 (0.59) | GABBR2GABBR1EGFRTNFRSF1APTGS1 | |
| SCHEMBL7060634 | 0.91 | GABBR2 (0.59) | GABBR2GABBR1EGFRTNFRSF1APTGS1 | |
| SCHEMBL7063110 | 0.80 | GABBR2 (0.56) | GABBR2GABBR1EGFRTNFRSF1APTGS1 | |
| SCHEMBL7062860 | 0.75 | GABBR2 (0.55) | GABBR2GABBR1EGFRTNFRSF1APTGS1 | |
| SCHEMBL6915895 | 0.74 | GABBR2 (0.76) | GABBR2GABBR1EGFRTNFRSF1APTGS1 | |
| SCHEMBL7061566 | 0.74 | HMGCR (0.55) | GABBR2GABBR1EGFRTNFRSF1APTGS1 | |
| SCHEMBL6910728 | 0.74 | GABBR2 (0.54) | GABBR2GABBR1EGFRTNFRSF1APTGS1 | |
| SCHEMBL9657108 | 0.72 | GABBR2 (0.72) | GABBR2GABBR1TNFRSF1APTGS1PTGS2 | |
| Butane SCHEMBL7061276 | 0.71 | GABBR2 (0.50) | GABBR2GABBR1EGFRTNFRSF1APTGS1 |
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 | 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 |