Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.34 |
| ▸ | KDM6B | O15054 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.33 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27669752 | 1.00 | ADRA2A (0.36) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL3953256 | 0.85 | PPARD (0.42) | FFAR1PPARD | |
| SCHEMBL4496981 | 0.85 | PPARD (0.42) | FFAR1PPARD | |
| SCHEMBL27649491 | 0.84 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL27649492 | 0.84 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL27669768 | 0.83 | KDM4C (0.47) | MTNR1AMTNR1BKDM4CKDM6BPPARD | |
| SCHEMBL27669766 | 0.83 | KDM4C (0.47) | MTNR1AMTNR1BKDM4CKDM6BPPARD | |
| SCHEMBL27649609 | 0.82 | KDM4C (0.42) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL27649608 | 0.82 | KDM4C (0.42) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL27669790 | 0.81 | KDM4E (0.38) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1894225-A | (3, 4-disubstituted) propanoates as sphingosine 1-phosphate (endothelial differentiation gene) receptor agonists | MERCK & CO INC (US) | 2007-01-10 | — | — | CN | disclosed |