Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL24568579 | 1.00 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4ALDH1A1CHRNA3 | |
| SCHEMBL23771191 | 0.80 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4ALDH1A1CHRNA3 | |
| SCHEMBL24974729 | 0.80 | CHRNB2 (0.33) | CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL801270 | 0.78 | — | — | |
| SCHEMBL23845193 | 0.77 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNB4ALDH1A1CHRNA3 | |
| SCHEMBL17171319 | 0.77 | FAAH (0.34) | CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL20960430 | 0.77 | CHRNB2 (0.31) | CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL18950192 | 0.77 | CHRNB2 (0.31) | CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL1615790 | 0.76 | — | — | |
| SCHEMBL3907850 | 0.76 | — | — |
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-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |