Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.48 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3239664 | 0.88 | CYP1A2 (0.41) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL24383319 | 0.85 | PSEN1 (0.41) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL5257413 | 0.85 | CHRNB2 (0.41) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL3742375 | 0.80 | S1PR1 (0.59) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL4298771 | 0.80 | CYP1A2 (0.58) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL5810243 | 0.78 | CHRNB2 (0.51) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL2850062 | 0.78 | S1PR1 (0.50) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL18531651 | 0.78 | CYP1A2 (0.61) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL9818802 | 0.78 | S1PR1 (0.61) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL27551089 | 0.78 | S1PR1 (0.57) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008121592-A2 | ACETYL COENZYME A CARBOXYLASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-10-09 | — | — | WO | disclosed |