Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.36 |
| ▸ | KMO | O15229 | 2/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9244989 | 1.00 | PTGES (0.36) | PTGESKMOGRM2GRM5BACE1 | |
| SCHEMBL9244982 | 1.00 | PTGES (0.36) | PTGESKMOGRM2GRM5BACE1 | |
| SCHEMBL9244978 | 1.00 | PTGES (0.36) | PTGESKMOGRM2GRM5BACE1 | |
| SCHEMBL9247454 | 0.91 | GRM2 (0.37) | PTGESKMOGRM2GRM5BACE1 | |
| SCHEMBL9247442 | 0.91 | GRM2 (0.37) | PTGESKMOGRM2GRM5BACE1 | |
| SCHEMBL9247447 | 0.91 | GRM2 (0.37) | PTGESKMOGRM2GRM5BACE1 | |
| SCHEMBL9247451 | 0.91 | GRM2 (0.37) | PTGESKMOGRM2GRM5BACE1 | |
| SCHEMBL9245217 | 0.89 | PTGES (0.37) | PTGESKMOGRM2GRM5BACE1 | |
| SCHEMBL9245213 | 0.89 | PTGES (0.37) | PTGESKMOGRM2GRM5BACE1 | |
| SCHEMBL9245168 | 0.89 | PTGES (0.37) | PTGESKMOGRM2GRM5BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5447657-A | Liquid crystal compounds | HOFFMANN-LA ROCHE INC. (US) | 1995-09-05 | — | — | US | disclosed |