Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.34 |
| ▸ | HRH2 | P25021 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL12669687 | 1.00 | PDCD1 (0.38) | PDCD1CD274SMYD3LTA4HHRH3 | |
| SCHEMBL12668629 | 0.89 | KCNA3 (0.39) | KCNA3ALDH1A1GAA | |
| SCHEMBL12669711 | 0.86 | — | — | |
| SCHEMBL5486706 | 0.83 | PDCD1 (0.39) | PDCD1CD274SMYD3LTA4HHRH3 | |
| SCHEMBL5486709 | 0.83 | PDCD1 (0.39) | PDCD1CD274SMYD3LTA4HHRH3 | |
| SCHEMBL20058141 | 0.79 | HRH2 (0.38) | LTA4HHRH3HRH2HRH1ALDH1A1 | |
| SCHEMBL12744447 | 0.77 | KDM1A (0.43) | PDCD1CD274SMYD3LTA4HHRH3 | |
| SCHEMBL28960037 | 0.77 | PDCD1 (0.44) | PDCD1CD274LTA4HHRH3HRH2 | |
| SCHEMBL20057817 | 0.74 | ALDH1A1 (0.35) | LTA4HHRH3ALDH1A1GAA | |
| SCHEMBL1361941 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015066515-A1 | SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH | RECEPTOS, INC. (US) | 2015-05-07 | — | — | WO | disclosed |
| WO-2011060392-A1 | SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS | RECEPTOS, INC. (US) | 2011-05-19 | — | — | WO | disclosed |