Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 9/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PLAT | P00750 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16629920 | 0.92 | MAOA (0.41) | PDK1PDK2PDK3PDK4ROCK2 | |
| SCHEMBL16630767 | 0.87 | ADRB3 (0.50) | — | |
| SCHEMBL16629889 | 0.83 | PDK1 (0.47) | TLR8TLR7ACACBPDK1RAB9A | |
| SCHEMBL16629795 | 0.81 | ACACB (0.45) | TLR8TLR7ACACBPDK1GRM5 | |
| SCHEMBL16629919 | 0.81 | ADRB3 (0.48) | — | |
| SCHEMBL16629851 | 0.78 | ADRB3 (0.40) | — | |
| SCHEMBL16619885 | 0.77 | ADRB3 (0.38) | — | |
| SCHEMBL16619887 | 0.77 | ADRB3 (0.38) | — | |
| SCHEMBL16619200 | 0.76 | ADRB3 (0.49) | TLR8TLR7ACACBRAB9A | |
| SCHEMBL16619202 | 0.76 | ADRB3 (0.49) | TLR8TLR7ACACBRAB9A |
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 |