Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.35 |
| ▸ | THRA | P10827 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL16020873 | 0.85 | CYP2A6 (0.37) | CYP2A6AGXTADRB2SLC5A2THRB | |
| SCHEMBL21697653 | 0.83 | CYP2A6 (0.40) | CYP2A6AGXTADRB2SLC5A2THRB | |
| SCHEMBL16018691 | 0.82 | CYP2A6 (0.42) | CYP2A6AGXTADRB2SLC5A2SLC5A1 | |
| SCHEMBL20741835 | 0.80 | SLC5A2 (0.44) | CYP2A6AGXTADRB2SLC5A2KMT2A | |
| SCHEMBL21697575 | 0.79 | THRB (0.38) | KMT2ATHRBMEN1GAAMAPT | |
| SCHEMBL21697633 | 0.78 | SLC5A2 (0.40) | CYP2A6AGXTADRB2SLC5A2SLC5A1 | |
| SCHEMBL1775820 | 0.76 | CYP2A6 (0.44) | CYP2A6AGXTADRB2SLC5A2SLC5A1 | |
| SCHEMBL20741882 | 0.76 | CYP2A6 (0.40) | CYP2A6AGXTADRB2SLC5A2MAPT | |
| SCHEMBL155195 | 0.76 | CYP2A6 (0.42) | CYP2A6AGXTADRB2SLC5A2SLC5A1 | |
| SCHEMBL21697577 | 0.74 | SSTR1 (0.34) | SLC5A2SLC5A1CHRM1ADRA1ASLC6A3 |
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-2968258-B1 | DUAL SGLT1/SGLT2 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-02-12 | — | — | EP | disclosed |