Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 5/20 | 0.31 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27859444 | 1.00 | GBA1 (0.39) | GBA1ESR1ESR2TRPA1ALDH1A1 | |
| SCHEMBL5144435 | 0.79 | GBA1 (0.43) | GBA1ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL30305975 | 0.79 | GBA1 (0.43) | GBA1ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL14464977 | 0.79 | GBA1 (0.43) | GBA1ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL5344274 | 0.78 | GBA1 (0.46) | GBA1ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL14321841 | 0.77 | GBA1 (0.39) | GBA1ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL20361529 | 0.77 | GBA1 (0.39) | GBA1ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL23158732 | 0.74 | GBA1 (0.41) | GBA1ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL5728691 | 0.73 | ACACB (0.41) | TRPA1RAB9AKMT2AMEN1NPC1 | |
| SCHEMBL13643094 | 0.73 | ACACB (0.41) | TRPA1RAB9AKMT2AMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3565809-A1 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | ViiV Healthcare UK (No.5) Limited (GB) | 2019-11-13 | — | — | EP | 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 |