Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9516412 | 1.00 | CYSLTR2 (0.36) | CYSLTR2CYSLTR1TP53ALDH1A1S1PR1 | |
| SCHEMBL9514070 | 1.00 | CYSLTR2 (0.36) | CYSLTR2CYSLTR1TP53ALDH1A1S1PR1 | |
| SCHEMBL9515658 | 1.00 | CYSLTR2 (0.36) | CYSLTR2CYSLTR1TP53ALDH1A1S1PR1 | |
| SCHEMBL9516403 | 1.00 | CYSLTR2 (0.36) | CYSLTR2CYSLTR1TP53ALDH1A1S1PR1 | |
| SCHEMBL9516779 | 0.99 | CYSLTR2 (0.35) | CYSLTR2CYSLTR1TP53 | |
| SCHEMBL9514174 | 0.96 | MAPT (0.32) | CYSLTR2CYSLTR1TP53ALDH1A1 | |
| SCHEMBL9517894 | 0.92 | CYP2C9 (0.37) | ALDH1A1 | |
| SCHEMBL9516737 | 0.88 | FFAR1 (0.31) | S1PR5 | |
| SCHEMBL9517924 | 0.78 | CYSLTR2 (0.41) | CYSLTR2CYSLTR1 | |
| SCHEMBL9515380 | 0.78 | CYSLTR2 (0.41) | CYSLTR2CYSLTR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0381728-B1 | DIFLUOROMETHYL COMPOUNDS | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |
| EP-0381728-A1 | DIFLUOROMETHYL COMPOUNDS. | MERCK PATENT GMBH (DE) | 1990-08-16 | — | — | EP | disclosed |
| WO-1990001056-A1 | DIFLUOROMETHYL COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-02-08 | — | — | WO | disclosed |