Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9046328 | 1.00 | ALDH1A1 (0.35) | ALDH1A1CHRNA7CA12CA1CA2 | |
| SCHEMBL10591709 | 0.81 | CHRNA7 (0.39) | ALDH1A1CHRNA7 | |
| SCHEMBL412997 | 0.73 | CHRNA7 (0.36) | CHRNA7CA12CA1CA2CA9 | |
| SCHEMBL4649804 | 0.73 | CHRNA7 (0.36) | CHRNA7CA12CA1CA2CA9 | |
| SCHEMBL3965421 | 0.73 | CHRNA7 (0.36) | CHRNA7CA12CA1CA2CA9 | |
| SCHEMBL412996 | 0.73 | CHRNA7 (0.36) | CHRNA7CA12CA1CA2CA9 | |
| SCHEMBL12205442 | 0.73 | CHRNA7 (0.36) | CHRNA7CA12CA1CA2CA9 | |
| SCHEMBL9374098 | 0.71 | EPHX1 (0.36) | — | |
| SCHEMBL15451780 | 0.69 | CHRNA7 (0.41) | ALDH1A1CHRNA7CA12CA1CA2 | |
| SCHEMBL3548921 | 0.69 | CHRNA7 (0.52) | ALDH1A1CHRNA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0749966-A1 | 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-12-27 | — | — | EP | disclosed |