Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9965957 | 1.00 | KDM5A (0.48) | KDM5AGPR119NR1H2SMN1; SMN2GAA | |
| SCHEMBL16182224 | 1.00 | KDM5A (0.48) | KDM5AGPR119NR1H2SMN1; SMN2GAA | |
| SCHEMBL14641877 | 0.86 | NR1H2 (0.40) | KDM5ANR1H2SMN1; SMN2GAATHRB | |
| SCHEMBL9963083 | 0.86 | NR1H2 (0.40) | KDM5ANR1H2SMN1; SMN2GAATHRB | |
| SCHEMBL24824540 | 0.86 | SMN1; SMN2 (0.44) | GPR119NR1H2SMN1; SMN2GAATHRB | |
| SCHEMBL9965918 | 0.85 | SMN1; SMN2 (0.47) | GPR119NR1H2SMN1; SMN2GAATHRB | |
| SCHEMBL12835905 | 0.83 | NR1H2 (0.40) | NR1H2SMN1; SMN2GAATHRBUSP2 | |
| SCHEMBL9965924 | 0.83 | NR1H2 (0.40) | NR1H2SMN1; SMN2GAATHRBUSP2 | |
| SCHEMBL9965923 | 0.80 | NR1H2 (0.38) | NR1H2SMN1; SMN2GAATHRBUSP2 | |
| SCHEMBL16182181 | 0.80 | NR1H2 (0.38) | NR1H2SMN1; SMN2GAATHRBUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |