Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL9514174 | 0.94 | MAPT (0.32) | CYP2C9ALDH1A1LMNAMAPTOPRL1 | |
| SCHEMBL9516779 | 0.93 | CYSLTR2 (0.35) | CYP2C9MAPTMEN1KMT2A | |
| SCHEMBL9515658 | 0.92 | CYSLTR2 (0.36) | ALDH1A1 | |
| SCHEMBL9516403 | 0.92 | CYSLTR2 (0.36) | ALDH1A1 | |
| SCHEMBL9518034 | 0.92 | CYSLTR2 (0.36) | ALDH1A1 | |
| SCHEMBL9514070 | 0.92 | CYSLTR2 (0.36) | ALDH1A1 | |
| SCHEMBL9516412 | 0.92 | CYSLTR2 (0.36) | ALDH1A1 | |
| SCHEMBL9516737 | 0.92 | FFAR1 (0.31) | — | |
| SCHEMBL10337719 | 0.88 | FFAR1 (0.33) | — | |
| SCHEMBL2436427 | 0.82 | CYP2C9 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 |