Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.35 |
| ▸ | FURIN | P09958 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16451529 | 0.81 | TAAR1 (0.47) | CHRNB2CHRNA4 | |
| SCHEMBL20577124 | 0.81 | CHRNB2 (0.42) | CHRNB2CHRNA4 | |
| SCHEMBL30692795 | 0.81 | CHRNB2 (0.42) | CHRNB2CHRNA4 | |
| SCHEMBL20577017 | 0.81 | CHRNB2 (0.42) | CHRNB2CHRNA4 | |
| SCHEMBL1109106 | 0.81 | CYP2D6 (0.47) | CHRNB2CHRNA4 | |
| SCHEMBL30692819 | 0.81 | CHRNB2 (0.42) | CHRNB2CHRNA4 | |
| SCHEMBL15901278 | 0.79 | CHRNB2 (0.41) | CHRNB2CHRNA4 | |
| SCHEMBL15082431 | 0.79 | MAPT (0.44) | CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL16332831 | 0.79 | TAAR1 (0.45) | CHRNB2CHRNA4 | |
| SCHEMBL17658773 | 0.79 | CHRNB2 (0.43) | CHRNB2CHRNA4 |
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-2014114578-A1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-31 | — | — | WO | disclosed |