Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8960143 | 0.86 | TRPA1 (0.44) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL8960497 | 0.86 | TRPA1 (0.44) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL7237387 | 0.84 | TRPA1 (0.42) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL8960120 | 0.82 | SMN1; SMN2 (0.45) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL8960117 | 0.82 | SMN1; SMN2 (0.45) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL27480140 | 0.82 | ESR2 (0.42) | CHRM1ADRA1AHTR2BTDP1MEN1 | |
| SCHEMBL27697668 | 0.82 | TRPA1 (0.64) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL16672742 | 0.81 | SMN1; SMN2 (0.51) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL27817027 | 0.80 | MEN1 (0.40) | LMNATP53TDP1MEN1KMT2A | |
| Acetone SCHEMBL9668686 | 0.79 | TRPA1 (0.45) | TRPA1LMNACHRM1SLC6A2ADRA1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101611005-A | Be used as the acetophenones of the replacement of PDE4 inhibitor | LEO PHARMA AS (DK) | 2009-12-23 | — | — | CN | claimed |
| CN-101611005-B | Substituted acetophenones useful as PDE4 inhibitors | LEO PHARMA AS | 2013-11-06 | — | — | CN | disclosed |
| CN-101611005-A | Be used as the acetophenones of the replacement of PDE4 inhibitor | LEO PHARMA AS (DK) | 2009-12-23 | — | — | CN | disclosed |