Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.68 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL7419188 | 1.00 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL15031431 | 0.81 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL1680022 | 0.81 | CHRNB2 (1.00) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL2437117 | 0.81 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL3224827 | 0.81 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL7409974 | 0.81 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL4111623 | 0.81 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL15805078 | 0.81 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL2441396 | 0.81 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL7411369 | 0.81 | CHRNB2 (0.68) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 |
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-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | claimed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | claimed |