Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.30 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9246411 | 1.00 | CYP11B1 (0.32) | CYP11B1CYP11B2PDE4ACHRNB2CHRNA2 | |
| SCHEMBL9246379 | 1.00 | CYP11B1 (0.32) | CYP11B1CYP11B2PDE4ACHRNB2CHRNA2 | |
| SCHEMBL9247696 | 0.91 | CHRNB2 (0.32) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9247682 | 0.91 | CHRNB2 (0.32) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9247692 | 0.91 | CHRNB2 (0.32) | CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9249568 | 0.89 | PDGFRB (0.31) | PDE4A | |
| SCHEMBL9249562 | 0.89 | PDGFRB (0.31) | PDE4A | |
| SCHEMBL9249549 | 0.89 | PDGFRB (0.31) | PDE4A | |
| SCHEMBL9249573 | 0.89 | PDGFRB (0.31) | PDE4A | |
| SCHEMBL9245217 | 0.88 | PTGES (0.37) | CYP11B1CYP11B2PDE4APTGES |
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 |