Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL92505 | 0.79 | — | — | |
| SCHEMBL18928929 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL5163790 | 0.77 | — | — | |
| SCHEMBL28243810 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL14341674 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL31629653 | 0.76 | CHRNB2 (0.38) | CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL15692317 | 0.73 | DPP4 (0.33) | — | |
| SCHEMBL10188644 | 0.73 | DPP4 (0.35) | — | |
| SCHEMBL18902399 | 0.73 | DPP4 (0.33) | — | |
| SCHEMBL15692416 | 0.73 | DPP4 (0.33) | — |
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-2012041124-A1 | AZABICYCLO OCTANE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |