Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 4/20 | 0.36 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16630218 | 0.90 | CETP (0.37) | CETPLIMK2ABL1RIN1GPR119 | |
| SCHEMBL16629828 | 0.89 | CETP (0.38) | CETPLIMK2ABL1RIN1GPR119 | |
| SCHEMBL18017455 | 0.89 | CETP (0.34) | CETPLIMK2HDAC1HDAC6ABL1 | |
| SCHEMBL16630680 | 0.89 | CETP (0.34) | CETPLIMK2HDAC1HDAC6ABL1 | |
| SCHEMBL16629855 | 0.88 | GPR119 (0.42) | CETPLIMK2GPR119SLC2A1MEN1 | |
| SCHEMBL21278650 | 0.84 | GPR119 (0.41) | CETPLIMK2GPR119USP30 | |
| SCHEMBL16629921 | 0.84 | CETP (0.38) | CETPLIMK2HDAC1ABL1RIN1 | |
| SCHEMBL16630588 | 0.84 | ACACB (0.40) | GPR119MEN1KMT2A | |
| SCHEMBL16629922 | 0.83 | P2RX3 (0.34) | HDAC1HDAC6GPR119 | |
| SCHEMBL17986551 | 0.82 | LIMK2 (0.33) | CETPLIMK2ABL1RIN1GPR119 |
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 |