Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 11/20 | 0.75 |
| ▸ | CHRNA4 | P43681 | 11/20 | 0.75 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRND | Q07001 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3061045 | 0.87 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA1CHRNA7ALDH1A1 | |
| SCHEMBL3065598 | 0.84 | CHRNB2 (0.94) | CHRNB2CHRNA4CHRNA1CHRNA7ALDH1A1 | |
| SCHEMBL5655866 | 0.84 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA1CHRNA7CHRNG | |
| SCHEMBL6350076 | 0.82 | CHRNB2 (0.91) | CHRNB2CHRNA4CHRNA1CHRNA7ALDH1A1 | |
| SCHEMBL3538787 | 0.81 | CHRNB2 (0.87) | CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4 | |
| SCHEMBL29507540 | 0.81 | CHRNB2 (0.87) | CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4 | |
| SCHEMBL5335 | 0.81 | CHRNB2 (0.87) | CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4 | |
| Hydrochloric Acid SCHEMBL9066315 | 0.79 | CHRNB2 (0.84) | CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4 | |
| SCHEMBL30317106 | 0.78 | CHRNB2 (0.81) | CHRNB2CHRNA4CHRNA1CHRNA7CHRNG | |
| SCHEMBL5171064 | 0.75 | CHRNB2 (0.71) | CHRNB2CHRNA4CHRNA1CHRNA7ALDH1A1 |
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-1175416-A1 | HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2002-01-30 | — | — | EP | disclosed |
| WO-2000064885-A1 | HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2000-11-02 | — | — | WO | disclosed |