Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 11/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.36 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL16722607 | 0.86 | S1PR5 (0.54) | S1PR5S1PR1S1PR3 | |
| SCHEMBL16722623 | 0.83 | S1PR1 (0.52) | S1PR5S1PR1S1PR3HTR2A | |
| SCHEMBL16719279 | 0.77 | LTA4H (0.40) | S1PR5S1PR1S1PR3 | |
| SCHEMBL16722383 | 0.76 | S1PR5 (0.45) | S1PR5S1PR1CD274S1PR3 | |
| SCHEMBL16797986 | 0.75 | CD274 (0.43) | MAOAMAOBCD274 | |
| SCHEMBL16722681 | 0.74 | S1PR5 (0.56) | MAOBS1PR5S1PR1S1PR3 | |
| SCHEMBL16719316 | 0.74 | FAAH (0.41) | S1PR1S1PR3 | |
| SCHEMBL16722258 | 0.74 | S1PR5 (0.52) | S1PR5S1PR1S1PR3 | |
| SCHEMBL16798068 | 0.73 | CD274 (0.41) | MAOAMAOBCD274 | |
| SCHEMBL16719318 | 0.73 | S1PR1 (0.52) | S1PR1S1PR3 |
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-2015073547-A1 | DISUBSTITUTED PHENOXY AZETIDINE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2015-05-21 | — | — | WO | disclosed |