Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7518110 | 0.99 | ALDH1A1 (0.35) | ALDH1A1NPSR1TDP1CHRNB2CHRNB4 | |
| SCHEMBL8554778 | 0.94 | CHRNA3 (0.35) | ALDH1A1NPSR1TDP1CHRNA3 | |
| SCHEMBL8550430 | 0.85 | CYP11B1 (0.34) | CHRNB2CHRNA4KDM1A | |
| Hydrochloric Acid SCHEMBL7413921 | 0.82 | CHRNB2 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL7414891 | 0.81 | CHRNB2 (0.40) | ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL7409484 | 0.78 | GPR119 (0.34) | ALDH1A1NPSR1TDP1 | |
| SCHEMBL4961589 | 0.77 | SLC6A2 (0.39) | CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL7408811 | 0.77 | SLC6A2 (0.39) | CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL7405130 | 0.77 | SLC6A2 (0.39) | CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL8554594 | 0.76 | CHRNB2 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4 |
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-0846114-A1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1998-06-10 | — | — | EP | disclosed |
| WO-1996040682-A1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1996-12-19 | — | — | WO | disclosed |