Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 5/20 | 0.46 |
| ▸ | RARA | P10276 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9229272 | 1.00 | RARB (0.46) | RARBRARAPTPN11NR5A1CYP3A4 | |
| SCHEMBL9223516 | 1.00 | RARB (0.46) | RARBRARAPTPN11NR5A1CYP3A4 | |
| SCHEMBL9223721 | 0.99 | RARB (0.47) | RARBRARAPTPN11NR5A1CYP3A4 | |
| SCHEMBL9224194 | 0.99 | RARB (0.47) | RARBRARAPTPN11NR5A1CYP3A4 | |
| SCHEMBL9221089 | 0.96 | RARB (0.49) | RARBRARAPTPN11CYP3A4CYP2D6 | |
| SCHEMBL9229214 | 0.96 | RARB (0.49) | RARBRARAPTPN11CYP3A4CYP2D6 | |
| SCHEMBL9226301 | 0.94 | PTPN11 (0.47) | RARBRARAPTPN11NR5A1S1PR1 | |
| SCHEMBL9221441 | 0.94 | PTPN11 (0.47) | RARBRARAPTPN11NR5A1S1PR1 | |
| SCHEMBL9225435 | 0.94 | PTPN11 (0.47) | RARBRARAPTPN11NR5A1S1PR1 | |
| SCHEMBL9228120 | 0.94 | RARB (0.49) | RARBRARAPTPN11NR5A1CYP3A4 |
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 |