Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18428342 | 0.92 | PTGS1 (0.35) | CA1CA2CA9AHRKIF11 | |
| SCHEMBL10224510 | 0.84 | SCN4A (0.36) | LTA4HCHEK2ALDH1A1MAPTHPGD | |
| SCHEMBL21236874 | 0.84 | LMNA (0.53) | RAB9AMAPTMAPK1SCN9A | |
| SCHEMBL25061707 | 0.83 | LTA4H (0.41) | CA1CA2CA9MEN1KMT2A | |
| SCHEMBL21882497 | 0.81 | MAOA (0.39) | CA2CA9MEN1KMT2ALTA4H | |
| SCHEMBL25646278 | 0.80 | — | — | |
| SCHEMBL21372564 | 0.80 | NR1H2 (0.45) | — | |
| SCHEMBL25974635 | 0.79 | SLC6A4 (0.37) | CA1CA2CA9SLC6A4MEN1 | |
| SCHEMBL24038361 | 0.78 | RXRA (0.43) | KIF11KCNH2 | |
| SCHEMBL24038109 | 0.78 | RXRA (0.43) | KIF11KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2616441-B1 | PYRIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA LP (US) | 2019-08-07 | — | — | EP | disclosed |