Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 3/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1748028 | 0.87 | CYP17A1 (0.39) | CYP17A1ABCB1GAAABCC1TP53 | |
| SCHEMBL1748134 | 0.84 | HDAC1 (0.41) | CYP17A1ABCB1GAAABCC1KIF11 | |
| SCHEMBL1748085 | 0.76 | GAA (0.36) | GAATP53ERN1KDM4ELMNA | |
| SCHEMBL595610 | 0.76 | GAA (0.43) | GAAKDM4ELMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL1747913 | 0.74 | ALDH1A1 (0.45) | GAAKDM4ELMNAHSD17B10 | |
| SCHEMBL1747936 | 0.73 | ALDH1A1 (0.51) | ABCB1GAAKDM4ELMNAHSD17B10 | |
| SCHEMBL6032290 | 0.73 | RARB (0.39) | ABCB1GAAKIF11NPC1 | |
| SCHEMBL1748024 | 0.73 | GSK3B (0.48) | GAALMNAHSD17B10NPC1RAB9A | |
| SCHEMBL4225890 | 0.72 | POLB (0.53) | GAATP53DGAT1KDM4ELMNA | |
| SCHEMBL1748176 | 0.71 | GAA (0.40) | GAAERN1DGAT1LMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1633722-B1 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | BAYER HEALTHCARE LLC (US) | 2011-08-03 | — | — | EP | disclosed |