Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9965920 | 1.00 | NR1H2 (0.41) | NR1H2SSTR4KMT2ANAMPTTACR1 | |
| SCHEMBL16182226 | 1.00 | NR1H2 (0.41) | NR1H2SSTR4KMT2ANAMPTTACR1 | |
| SCHEMBL9933947 | 0.81 | — | — | |
| SCHEMBL9933948 | 0.81 | — | — | |
| SCHEMBL9965952 | 0.81 | KMT2A (0.48) | NR1H2SSTR4KMT2ASTSUSP2 | |
| SCHEMBL8284375 | 0.81 | KMT2A (0.55) | KMT2ASTSPTPN2PTPN1PTPN6 | |
| SCHEMBL20275276 | 0.76 | SSTR4 (0.47) | NR1H2SSTR4NAMPTPDE4BJAK3 | |
| SCHEMBL30241440 | 0.76 | SSTR4 (0.48) | NR1H2SSTR4NAMPTTACR1RORC | |
| SCHEMBL25325266 | 0.75 | NR1H2 (0.37) | NR1H2NAMPTTACR1RORCPDE4B | |
| SCHEMBL16182190 | 0.75 | SSTR4 (0.46) | NR1H2SSTR4NAMPTRORCPDE4B |
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 |