Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.49 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.49 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.49 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | EBP | Q15125 | 1/20 | 0.49 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | ALPG | P10696 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1931049 | 0.76 | SIGMAR1 (0.58) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL7435471 | 0.76 | SIGMAR1 (0.58) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL13324586 | 0.76 | SIGMAR1 (0.58) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL30084867 | 0.76 | SIGMAR1 (0.58) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL7435475 | 0.76 | SIGMAR1 (0.58) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL23106523 | 0.75 | SIGMAR1 (0.46) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL21794478 | 0.75 | ESR2 (0.45) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL11234837 | 0.74 | SIGMAR1 (0.56) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL22907397 | 0.71 | MEN1 (0.31) | MEN1KMT2A | |
| SCHEMBL19258466 | 0.71 | ESR2 (0.41) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A |
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-3901145-A1 | DEUTERATED HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE SYNTHESIS OF IMAGING AGENTS | F. Hoffmann-La Roche AG (CH) | 2021-10-27 | — | — | EP | disclosed |