Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 11/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16618878 | 0.88 | ADRB3 (0.47) | PDK1ACACB | |
| SCHEMBL16618880 | 0.88 | ADRB3 (0.47) | PDK1ACACB | |
| SCHEMBL21278602 | 0.88 | ADRB3 (0.47) | PDK1ACACB | |
| SCHEMBL16629795 | 0.84 | ACACB (0.45) | PDK1ACACBPDK2PDK3PDK4 | |
| SCHEMBL16630766 | 0.83 | TLR8 (0.41) | PDK1ACACBPDK2PDK3PDK4 | |
| SCHEMBL16629858 | 0.81 | NSD2 (0.44) | PDK1ACACBNPC1NSD2 | |
| SCHEMBL16619645 | 0.78 | ADRB3 (0.57) | ACACB | |
| SCHEMBL16619647 | 0.78 | ADRB3 (0.57) | ACACB | |
| SCHEMBL12079982 | 0.77 | ADRB3 (0.52) | — | |
| SCHEMBL12079980 | 0.77 | ADRB3 (0.52) | — |
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-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |