Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.30 |
| ▸ | PIK3C3 | Q8NEB9 | 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 | |
|---|---|---|---|---|
| SCHEMBL18507469 | 0.84 | ACACB (0.32) | LNPEPKCNH2ACACB | |
| SCHEMBL18516007 | 0.83 | PDE9A (0.34) | — | |
| SCHEMBL20372362 | 0.82 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL20372260 | 0.81 | PDE9A (0.33) | ALDH1A1LNPEPKCNQ2KMT2APIK3C3 | |
| SCHEMBL20371960 | 0.81 | PTGDR2 (0.38) | ALDH1A1KCNH2 | |
| SCHEMBL20372476 | 0.80 | KCNH2 (0.36) | ALDH1A1LNPEPKCNH2SLCO1B1PIK3C3 | |
| SCHEMBL20372483 | 0.79 | KCNH2 (0.42) | ALDH1A1KCNH2 | |
| SCHEMBL20371973 | 0.79 | GRIN2B (0.35) | ALDH1A1KCNQ2KMT2A | |
| SCHEMBL20371975 | 0.78 | ME2 (0.33) | ALDH1A1LNPEPKCNQ2KCNH2 | |
| SCHEMBL20372326 | 0.78 | HCRTR1 (0.32) | ALDH1A1LNPEPKCNQ2KCNH2 |
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 3 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-2018127800-A1 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2018-07-12 | — | — | WO | disclosed |
| WO-2017025915-A1 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2017-02-16 | — | — | WO | disclosed |