Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8514456 | 0.83 | CHRNA7 (0.49) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| SCHEMBL8511440 | 0.83 | CHRNA7 (0.49) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| SCHEMBL9608746 | 0.81 | CHRNA7 (0.50) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| SCHEMBL8512647 | 0.78 | GPR52 (0.57) | CHRNA7GPR52TBXAS1 | |
| SCHEMBL8512649 | 0.78 | GPR52 (0.57) | CHRNA7GPR52TBXAS1 | |
| SCHEMBL15547026 | 0.78 | HTR2A (0.48) | CYP2A6GPR52CYP1A2CYP2D6 | |
| SCHEMBL15547029 | 0.78 | HTR2A (0.48) | CYP2A6GPR52CYP1A2CYP2D6 | |
| SCHEMBL868537 | 0.77 | CHRNA7 (0.57) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| SCHEMBL9608492 | 0.76 | CHRNA7 (0.52) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 | |
| Bromide SCHEMBL17353587 | 0.75 | CHRNA7 (0.55) | CHRNA7CYP2A6HRH1TDP1L3MBTL1 |
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-2012069605-A1 | NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS | DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) | 2012-05-31 | — | — | WO | disclosed |