Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8726941 | 0.90 | LTA4H (0.52) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL5454062 | 0.83 | GAA (0.50) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL5460631 | 0.83 | NR1H3 (0.46) | CYP1A2CYP2D6CHRNA7ALDH1A1 | |
| SCHEMBL5495225 | 0.82 | CYP3A4 (0.55) | CYP1A2CYP2D6TDP1L3MBTL1HRH1 | |
| SCHEMBL6133002 | 0.80 | NAPRT (0.48) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL27496388 | 0.80 | CHRNA7 (0.57) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL6610357 | 0.79 | — | — | |
| SCHEMBL7705274 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL7384351 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL7381665 | 0.78 | MAPT (0.47) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |