Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9224111 | 0.93 | CYP17A1 (0.41) | CYP17A1KCNH2GRIN2BFAAHMGLL | |
| SCHEMBL9226839 | 0.91 | CYP17A1 (0.39) | CYP17A1KCNH2GRIN2BMGLLGRM2 | |
| SCHEMBL6059893 | 0.90 | CYP17A1 (0.41) | CYP17A1KCNH2GRIN2BMGLLGRM2 | |
| SCHEMBL3957519 | 0.88 | CYP1A2 (0.41) | CYP17A1KCNH2GRIN2BMGLLGRM2 | |
| SCHEMBL9223439 | 0.88 | CYP17A1 (0.43) | CYP17A1KCNH2GRIN2BMGLLGRM2 | |
| SCHEMBL12967349 | 0.86 | CACNA1H (0.39) | CACNA1H | |
| SCHEMBL9221848 | 0.85 | RARB (0.49) | CYP17A1MGLL | |
| SCHEMBL7731626 | 0.85 | CYP17A1 (0.36) | CYP17A1KCNH2GRIN2BCACNA1HALDH1A1 | |
| SCHEMBL3165290 | 0.84 | CYP17A1 (0.35) | CYP17A1KCNH2GRIN2BFAAHMGLL | |
| SCHEMBL9227843 | 0.84 | RARB (0.54) | CYP17A1MGLLALDH1A1LMNA |
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-0413785-B1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS | MERCK PATENT GMBH (DE) | 1995-12-20 | — | — | EP | disclosed |