Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.37 |
| ▸ | RELA | Q04206 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4593949 | 0.94 | NPC1 (0.42) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL14301931 | 0.92 | NPC1 (0.41) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL30457050 | 0.91 | MAPT (0.40) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL14308575 | 0.89 | NPC1 (0.46) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL14308576 | 0.88 | TSHR (0.41) | LMNATHRACYP3A4KMT2AMEN1 | |
| SCHEMBL14302580 | 0.87 | NPC1 (0.37) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL4333685 | 0.86 | NPC1 (0.46) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL14308573 | 0.85 | LMNA (0.44) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL4337700 | 0.84 | CYSLTR1 (0.36) | MAPTKMT2AMEN1ALDH1A1PTPN2 | |
| SCHEMBL30457312 | 0.84 | MAPT (0.38) | MAPTKMT2APTPN2PTPN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1187802-B1 | LIQUID CRYSTAL COMPOUNDS | ROLIC AG (CH) | 2008-01-02 | — | — | EP | disclosed |
| EP-1046631-A1 | Liquid crystalline compounds | Rolic AG (CH) | 2000-10-25 | — | — | EP | disclosed |