Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 6/20 | 0.47 |
| ▸ | RARA | P10276 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL9227578 | 0.97 | RARB (0.47) | RARBRARACYP2D6CYP3A4FFAR1 | |
| SCHEMBL9228120 | 0.96 | RARB (0.49) | RARBRARACYP2D6CYP3A4FFAR1 | |
| SCHEMBL9225363 | 0.96 | RARB (0.49) | RARBRARACYP2D6CYP3A4FFAR1 | |
| SCHEMBL9228167 | 0.94 | S1PR1 (0.46) | RARBRARACYP2D6CYP3A4FFAR1 | |
| SCHEMBL9223434 | 0.94 | FFAR1 (0.41) | RARBRARACYP2D6CYP3A4FFAR1 | |
| SCHEMBL9229214 | 0.93 | RARB (0.49) | RARBRARACYP2D6CYP3A4FFAR1 | |
| SCHEMBL9221089 | 0.93 | RARB (0.49) | RARBRARACYP2D6CYP3A4FFAR1 | |
| SCHEMBL9225276 | 0.92 | PTPN11 (0.45) | RARBRARACYP2D6CYP3A4FFAR1 | |
| SCHEMBL9224194 | 0.91 | RARB (0.47) | RARBRARACYP2D6CYP3A4FFAR1 | |
| SCHEMBL9226301 | 0.91 | PTPN11 (0.47) | RARBRARAS1PR1S1PR3MCL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0413785-B1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS | MERCK PATENT GMBH (DE) | 1995-12-20 | — | — | EP | disclosed |