Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | CETP | P11597 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | OXTR | P30559 | 2/20 | 0.30 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17986573 | 1.00 | GPR119 (0.35) | GPR119OPRD1KCNH2CETPALDH1A1 | |
| SCHEMBL17986572 | 1.00 | GPR119 (0.35) | GPR119OPRD1KCNH2CETPALDH1A1 | |
| SCHEMBL16629791 | 0.93 | ACACB (0.35) | GPR119OPRD1KCNH2CETPALDH1A1 | |
| SCHEMBL16629824 | 0.91 | GPR119 (0.37) | GPR119OPRD1KCNH2CETPALDH1A1 | |
| SCHEMBL16629887 | 0.89 | GPR119 (0.37) | GPR119OPRD1KCNH2CETPALDH1A1 | |
| SCHEMBL16629804 | 0.88 | MEN1 (0.36) | GPR119CETPALDH1A1MEN1MAPT | |
| SCHEMBL18017452 | 0.87 | AGTR2 (0.33) | GPR119CETP | |
| SCHEMBL16629796 | 0.86 | ACACB (0.36) | GPR119CETPALDH1A1MEN1MAPT | |
| SCHEMBL16630571 | 0.86 | JAK2 (0.37) | GPR119OPRD1KCNH2CETPALDH1A1 | |
| SCHEMBL16629925 | 0.85 | KMT2A (0.33) | GPR119CETPMEN1KMT2A |
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-3052099-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |