Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 3/20 | 0.39 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | NAMPT | P43490 | 3/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5672058 | 0.92 | HRH3 (0.41) | PPARDPPARAMAPT | |
| SCHEMBL5170856 | 0.90 | PPARD (0.38) | PPARDPPARAMAPTSLC18A2TRPA1 | |
| SCHEMBL5171675 | 0.85 | PANK3 (0.39) | PPARDPPARA | |
| SCHEMBL2124647 | 0.84 | ESR1 (0.44) | MAPTGRM5KDM4EABCB11ALDH1A1 | |
| SCHEMBL4637685 | 0.83 | NR1H2 (0.39) | MAPTDRD2KDM4EABCB11ALDH1A1 | |
| SCHEMBL5170176 | 0.82 | SLC18A2 (0.36) | NAMPTMAPTKDM4EABCB11ALDH1A1 | |
| SCHEMBL2121612 | 0.81 | SLC18A2 (0.35) | MAPTKDM4EABCB11ALDH1A1POLB | |
| SCHEMBL5551732 | 0.81 | MTNR1B (0.50) | PPARDMAPTKDM4EABCB11ALDH1A1 | |
| SCHEMBL5170187 | 0.81 | SLC18A2 (0.36) | MAPTKDM4EABCB11ALDH1A1POLB | |
| SCHEMBL5669989 | 0.80 | ESR1 (0.38) | MAPTDRD2KDM4EABCB11ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2443110-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | Glaxo Group Limited (GB) | 2012-04-25 | — | — | EP | disclosed |
| WO-2010146105-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | GLAXO GROUP LIMITED (GB) | 2010-12-23 | — | — | WO | disclosed |
| EP-2222669-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) | Glaxo Group Limited (GB) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009080725-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |