Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.38 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL7417404 | 0.92 | IRAK4 (0.42) | IRAK4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7404130 | 0.90 | IRAK4 (0.41) | IRAK4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7414935 | 0.83 | CHRNA3 (0.39) | IRAK4CHRNB2CHRNA4CHRNA7CHRNB4 | |
| SCHEMBL7412369 | 0.82 | CHRNB4 (0.45) | IRAK4CHRNB2CHRNA4CHRNA7CHRNB4 | |
| SCHEMBL7405400 | 0.82 | IRAK4 (0.36) | IRAK4CHRNB4CHRNA3MAP2K1 | |
| SCHEMBL7416770 | 0.74 | CHRNB2 (0.38) | IRAK4CHRNB2CHRNA4CHRNA7CHRNB4 | |
| SCHEMBL7407282 | 0.74 | CHRNA3 (0.44) | IRAK4CHRNB2CHRNA4CHRNA7CHRNB4 | |
| SCHEMBL7454988 | 0.71 | CHRNA3 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1 | |
| SCHEMBL7416134 | 0.71 | CHRNB4 (0.54) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL7412844 | 0.68 | — | — |
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 | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |