Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | ARG1 | P05089 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL696134 | 0.91 | ARG1 (0.33) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL5409733 | 0.83 | CHRNB2 (0.35) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL2105880 | 0.83 | ARG1 (0.46) | ARG1KDM4EMEN1KMT2A | |
| SCHEMBL27113333 | 0.78 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL27430574 | 0.78 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL30759314 | 0.77 | CHRNB2 (0.35) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL31441845 | 0.76 | CHRNB2 (0.37) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL30571963 | 0.76 | CHRNB2 (0.37) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL26579261 | 0.76 | CHRNB2 (0.34) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL27110891 | 0.74 | CHRNB2 (0.35) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |