Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 10/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 10/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 8/20 | 0.55 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.55 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.55 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.49 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21595654 | 1.00 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL21595657 | 1.00 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL10188236 | 0.82 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL23554540 | 0.80 | XDH (0.44) | XDHMCHR1 | |
| SCHEMBL30791991 | 0.80 | XDH (0.44) | XDHMCHR1 | |
| SCHEMBL611500 | 0.76 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL608439 | 0.76 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL2167343 | 0.76 | CHRNA3 (0.43) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL29495736 | 0.76 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL23012776 | 0.76 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019244066-A2 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2019-12-26 | — | — | WO | disclosed |
| WO-2019244066-A2 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2019-12-26 | — | — | WO | disclosed |