Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.46 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.46 |
| ▸ | CHRNA6 | Q15825 | 2/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | TACR1 | P25103 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27410286 | 0.81 | CHRNB2 (0.41) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL6523733 | 0.80 | SPR (0.32) | — | |
| SCHEMBL3403409 | 0.78 | — | — | |
| SCHEMBL23866581 | 0.77 | CHRNB2 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL21661510 | 0.77 | CHRNB2 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL10310052 | 0.75 | SPR (0.43) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL15298466 | 0.71 | CHRNB2 (0.53) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL22802776 | 0.70 | CHRNB2 (0.55) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL29348155 | 0.70 | TLR8 (0.30) | — | |
| SCHEMBL12510683 | 0.70 | EPHX2 (0.47) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 |
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-2020025517-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2020-02-06 | — | — | WO | disclosed |