Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 4/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.44 |
| ▸ | RARB | P10826 | 5/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 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 | |
|---|---|---|---|---|
| SCHEMBL9221441 | 1.00 | PTPN11 (0.47) | PTPN11S1PR1S1PR3RARBCNR2 | |
| SCHEMBL9226301 | 1.00 | PTPN11 (0.47) | PTPN11S1PR1S1PR3RARBCNR2 | |
| SCHEMBL9225276 | 0.99 | PTPN11 (0.45) | PTPN11S1PR1S1PR3RARBCNR2 | |
| SCHEMBL9228167 | 0.96 | S1PR1 (0.46) | PTPN11S1PR1S1PR3RARBPDK2 | |
| SCHEMBL9228120 | 0.95 | RARB (0.49) | PTPN11S1PR1S1PR3RARBNR5A1 | |
| SCHEMBL9225363 | 0.95 | RARB (0.49) | PTPN11S1PR1S1PR3RARBNR5A1 | |
| SCHEMBL9227477 | 0.94 | RARB (0.46) | PTPN11S1PR1S1PR3RARBNR5A1 | |
| SCHEMBL9223516 | 0.94 | RARB (0.46) | PTPN11S1PR1S1PR3RARBNR5A1 | |
| SCHEMBL9229272 | 0.94 | RARB (0.46) | PTPN11S1PR1S1PR3RARBNR5A1 | |
| SCHEMBL9227578 | 0.94 | RARB (0.47) | PTPN11S1PR1S1PR3RARBMCL1 |
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-0413785-B1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS | MERCK PATENT GMBH (DE) | 1995-12-20 | — | — | EP | disclosed |
| EP-0413785-A1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. | MERCK PATENT GMBH (DE) | 1991-02-27 | — | — | EP | disclosed |
| WO-1990009420-A1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-23 | — | — | WO | disclosed |