Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL9965880 | 1.00 | NR1H2 (0.40) | NR1H2HTTATMADRB3KCNH2 | |
| SCHEMBL9963074 | 1.00 | NR1H2 (0.40) | NR1H2HTTATMADRB3KCNH2 | |
| SCHEMBL16182195 | 1.00 | NR1H2 (0.40) | NR1H2HTTATMADRB3KCNH2 | |
| SCHEMBL13216245 | 0.86 | NR1H2 (0.41) | NR1H2HTTATMDDB1CRBN | |
| SCHEMBL9932445 | 0.80 | ADRB3 (0.44) | ADRB3KCNH2SMN1; SMN2 | |
| SCHEMBL2390750 | 0.79 | MAPT (0.43) | JAK3SMN1; SMN2GPR119USP30 | |
| SCHEMBL2390005 | 0.79 | MAPT (0.43) | JAK3SMN1; SMN2GPR119USP30 | |
| SCHEMBL3588386 | 0.78 | THRB (0.48) | HTTJAK3SMN1; SMN2GPR119NAMPT | |
| SCHEMBL14565986 | 0.77 | ABHD6 (0.40) | HTTATMJAK3USP30 | |
| SCHEMBL14641748 | 0.76 | KDM5A (0.50) | NR1H2HTTDDB1CRBNSSTR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595483-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |
| WO-2012012314-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |