Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 4/20 | 0.47 |
| ▸ | RARB | P10826 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL14302567 | 0.92 | PTPN11 (0.48) | PTPN11RARBNPC1LMNANFKB1 | |
| SCHEMBL3192599 | 0.90 | NPC1 (0.49) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL14500157 | 0.90 | NPC1 (0.49) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL14302568 | 0.90 | RARB (0.47) | PTPN11RARBNPC1LMNANFKB1 | |
| SCHEMBL13768006 | 0.89 | NPC1 (0.47) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL4338293 | 0.89 | THRB (0.48) | PTPN11RARBNPC1LMNANFKB1 | |
| SCHEMBL14302572 | 0.89 | PTPN11 (0.48) | PTPN11RARBNPC1LMNANFKB1 | |
| SCHEMBL26642397 | 0.88 | NPC1 (0.47) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL26062557 | 0.88 | NPC1 (0.47) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL497301 | 0.88 | MAPT (0.47) | NPC1LMNANFKB1NFKB2RELA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6630076-B1 | Liquid crystal polymer thin films, optics, electrooptics | ROLIC AG (CH) | 2003-10-07 | — | — | US | disclosed |
| EP-1102741-B1 | LIQUID CRYSTALLINE COMPOUNDS | ROLIC AG (CH) | 2003-07-02 | — | — | EP | disclosed |