Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | IAPP | P10997 | 3/20 | 0.34 |
| ▸ | TOP2A | P11388 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 4/20 | 0.33 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | RXRB | P28702 | 2/20 | 0.33 |
| ▸ | RXRG | P48443 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5665784 | 0.86 | BACE1 (0.40) | HMGCRBACE1MAPTHSD17B10TP53 | |
| Butane SCHEMBL6917883 | 0.85 | GABBR2 (0.50) | HMGCRBACE1CYP1A2CYP2C9ALOX5 | |
| SCHEMBL6910728 | 0.80 | GABBR2 (0.54) | HMGCRBACE1CYP1A2CYP2C9ALOX5 | |
| Butane SCHEMBL6671839 | 0.80 | RXRA (0.38) | BACE1MAPTAPPRXRARXRB | |
| Butane SCHEMBL5669981 | 0.79 | HMGCR (0.37) | HMGCRBACE1MAPTHSD17B10TP53 | |
| Butane SCHEMBL9390678 | 0.77 | GABBR2 (0.47) | HMGCRCYP1A2CYP2C9ALOX5PTGS1 | |
| Butane SCHEMBL9227372 | 0.76 | GABBR2 (0.46) | HMGCRBACE1MAPTHSD17B10TP53 | |
| Butane SCHEMBL9227305 | 0.75 | TOP2A (0.36) | BACE1MAPTHSD17B10TP53CYP3A4 | |
| SCHEMBL5666378 | 0.72 | HMGCR (0.44) | HMGCRBACE1MAPTHSD17B10TP53 | |
| SCHEMBL9390671 | 0.72 | TOP2A (0.38) | BACE1MAPTHSD17B10TP53CYP3A4 |
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-2004026242-A2 | SUBSTITUTED KETOPHOSPHONATE INHIBITORS OF TUMOR CELL PROLIFERATION | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | disclosed |