Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 10/20 | 0.63 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.63 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.62 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.62 |
| ▸ | PRKCG | P05129 | 1/20 | 0.62 |
| ▸ | PIM1 | P11309 | 1/20 | 0.62 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.62 |
| ▸ | AKT1 | P31749 | 1/20 | 0.62 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.62 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.62 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.62 |
| ▸ | STK3 | Q13188 | 1/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.62 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.62 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.62 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.62 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.62 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.61 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL7412584 | 1.00 | CHRNB2 (0.63) | CHRNB2CHRNA4DAPK3ROCK2PRKCG | |
| SCHEMBL8436563 | 0.92 | CHRNB2 (0.74) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1 | |
| Hydrochloric Acid SCHEMBL7466371 | 0.91 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1 | |
| Hydrochloric Acid SCHEMBL7408620 | 0.91 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1 | |
| SCHEMBL7409960 | 0.84 | CHRNB2 (0.64) | CHRNB2CHRNA4DAPK3ROCK2PRKCG | |
| SCHEMBL7410123 | 0.84 | CHRNB2 (0.84) | CHRNB2CHRNA4DAPK3ROCK2PRKCG | |
| SCHEMBL7408002 | 0.84 | CHRNB2 (0.64) | CHRNB2CHRNA4DAPK3ROCK2PRKCG | |
| SCHEMBL13308144 | 0.84 | CHRNB2 (0.84) | CHRNB2CHRNA4DAPK3ROCK2PRKCG | |
| SCHEMBL7413974 | 0.83 | CHRNB2 (0.63) | CHRNB2CHRNA4DAPK3ROCK2PRKCG | |
| SCHEMBL2439661 | 0.83 | CHRNB2 (0.85) | CHRNB2CHRNA4DAPK3ROCK2PRKCG |
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 |