Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 3/20 | 0.54 |
| ▸ | THRA | P10827 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RARA | P10276 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9641454 | 1.00 | PTPN11 (0.54) | PTPN11THRATHRBRARBNPC1 | |
| SCHEMBL9640278 | 1.00 | PTPN11 (0.54) | PTPN11THRATHRBRARBNPC1 | |
| SCHEMBL9640174 | 1.00 | PTPN11 (0.54) | PTPN11THRATHRBRARBNPC1 | |
| SCHEMBL9641082 | 1.00 | PTPN11 (0.54) | PTPN11THRATHRBRARBNPC1 | |
| SCHEMBL9640668 | 0.98 | PTPN11 (0.52) | PTPN11THRATHRBRARBNPC1 | |
| SCHEMBL9640212 | 0.97 | PTPN11 (0.51) | PTPN11THRATHRBRARBNPC1 | |
| SCHEMBL9641007 | 0.95 | PTPN11 (0.49) | PTPN11THRATHRBRARBNPC1 | |
| SCHEMBL10525000 | 0.94 | NPC1 (0.58) | PTPN11THRATHRBRARBNPC1 | |
| SCHEMBL10526183 | 0.94 | NPC1 (0.58) | PTPN11THRATHRBRARBNPC1 | |
| SCHEMBL10525808 | 0.94 | NPC1 (0.58) | PTPN11THRATHRBRARBNPC1 |
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-0357702-B1 | FLUORINATED OLIGOPHENYL DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-08-12 | — | — | EP | disclosed |
| EP-0357702-A1 | FLUORINATED OLIGOPHENYL DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989006678-A1 | FLUORINATED OLIGOPHENYL DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-07-27 | — | — | WO | disclosed |