Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24800558 | 0.98 | ALDH1A1 (0.44) | ALDH1A1ENPEPS1PR2S1PR1S1PR3 | |
| SCHEMBL19779375 | 0.84 | — | — | |
| SCHEMBL14084132 | 0.84 | — | — | |
| SCHEMBL18463229 | 0.81 | ALDH1A1 (0.40) | ALDH1A1ENPEPS1PR2S1PR1S1PR3 | |
| SCHEMBL24799699 | 0.81 | ALDH1A1 (0.40) | ALDH1A1ENPEPS1PR2S1PR1S1PR3 | |
| SCHEMBL24267043 | 0.78 | ALDH1A1 (0.50) | ALDH1A1ENPEPS1PR2S1PR1S1PR3 | |
| SCHEMBL6821250 | 0.78 | ALDH1A1 (0.50) | ALDH1A1ENPEPS1PR2S1PR1S1PR3 | |
| SCHEMBL23155063 | 0.78 | OPRM1 (0.43) | ALDH1A1ENPEPS1PR2S1PR1S1PR3 | |
| SCHEMBL16240876 | 0.78 | OPRM1 (0.43) | ALDH1A1ENPEPS1PR2S1PR1S1PR3 | |
| SCHEMBL7131352 | 0.76 | ALDH1A1 (0.52) | ALDH1A1ENPEPS1PR2S1PR1S1PR3 |
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-2018069863-A1 | 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-04-19 | — | — | WO | disclosed |