Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL17839691 | 1.00 | CA1 (0.38) | CA1CA2HTTDYRK1AMAPT | |
| SCHEMBL19309756 | 0.78 | CA1 (0.38) | CA1CA2HTTDYRK1AMAPT | |
| SCHEMBL1006473 | 0.76 | CA1 (0.43) | CA1CA2HTTDYRK1AMAPT | |
| SCHEMBL20859053 | 0.74 | CA1 (0.35) | CA1CA2HTTDYRK1AMAPT | |
| SCHEMBL1295362 | 0.72 | MAPT (0.35) | HTTMAPTKDM4EHSP90AA1MEN1 | |
| SCHEMBL45954 | 0.72 | CA1 (0.54) | CA1CA2HTTDYRK1AMAPT | |
| SCHEMBL29489124 | 0.72 | CA1 (0.54) | CA1CA2HTTDYRK1AMAPT | |
| SCHEMBL14460001 | 0.71 | TSHR (0.35) | HTTDYRK1AMAPTALDH1A1TSHR | |
| SCHEMBL27585332 | 0.71 | TSHR (0.45) | HTTMAPTKDM4EALDH1A1GAA | |
| SCHEMBL30873742 | 0.71 | MAPT (0.46) | HTTMAPTKDM4EALDH1A1HSP90AA1 |
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-4093400-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | The Trustees of Princeton University (US) | 2022-11-30 | — | — | EP | disclosed |