Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19119557 | 0.94 | RARA (0.35) | RARARARB | |
| SCHEMBL21537515 | 0.92 | APP (0.34) | APPRARARARBHSD17B1HSD17B2 | |
| SCHEMBL25070538 | 0.91 | RARA (0.32) | RARARARB | |
| SCHEMBL18418543 | 0.91 | RARA (0.36) | RARARARB | |
| SCHEMBL20975632 | 0.90 | RARA (0.35) | RARARARB | |
| SCHEMBL16265238 | 0.87 | CYP3A4 (0.36) | APP | |
| SCHEMBL18418549 | 0.86 | RARA (0.36) | RARARARB | |
| SCHEMBL19119902 | 0.86 | RARA (0.36) | RARARARB | |
| SCHEMBL25070639 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL18418546 | 0.84 | RARA (0.37) | RARARARB |
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-2015154848-A1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2015-10-15 | — | — | WO | disclosed |