Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16722639 | 0.86 | S1PR5 (0.53) | — | |
| SCHEMBL16728381 | 0.79 | LMNA (0.39) | ALDH1A1 | |
| SCHEMBL16719292 | 0.76 | LTA4H (0.42) | KDM4E | |
| SCHEMBL16719280 | 0.74 | S1PR1 (0.51) | — | |
| SCHEMBL16722391 | 0.70 | S1PR5 (0.54) | — | |
| SCHEMBL16722331 | 0.69 | S1PR5 (0.59) | — | |
| SCHEMBL16722437 | 0.69 | S1PR5 (0.54) | — | |
| SCHEMBL16722661 | 0.68 | S1PR5 (0.56) | — | |
| SCHEMBL16722188 | 0.68 | S1PR5 (0.56) | — | |
| SCHEMBL16722681 | 0.66 | S1PR5 (0.56) | — |
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 |