Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 7/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17986587 | 1.00 | ACACB (0.33) | ACACBGPR119NPC1RAB9AGRM5 | |
| SCHEMBL17986589 | 1.00 | ACACB (0.33) | ACACBGPR119NPC1RAB9AGRM5 | |
| SCHEMBL17986538 | 0.92 | ACACB (0.36) | ACACBGPR119NPC1RAB9AGRM5 | |
| SCHEMBL16619094 | 0.92 | ACACB (0.36) | ACACBGPR119NPC1RAB9AGRM5 | |
| SCHEMBL16629791 | 0.89 | ACACB (0.35) | ACACBGPR119NPC1RAB9AGRM5 | |
| SCHEMBL17986608 | 0.88 | ACACB (0.34) | ACACBGPR119NPC1RAB9AGRM5 | |
| SCHEMBL16629792 | 0.88 | ACACB (0.34) | ACACBGPR119NPC1RAB9AGRM5 | |
| SCHEMBL16629797 | 0.87 | ACACB (0.35) | ACACBGPR119NPC1RAB9AGRM5 | |
| SCHEMBL16630571 | 0.87 | JAK2 (0.37) | ACACBGPR119GRM5PDK1PDK2 | |
| SCHEMBL16619633 | 0.84 | GPR119 (0.35) | ACACBGPR119NPC1RAB9AGRM5 |
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 |