Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.56 |
| ▸ | RELA | Q04206 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15478746 | 0.89 | NPC1 (0.68) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL13452752 | 0.85 | LMNA (0.58) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8750121 | 0.84 | TP53 (0.69) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8828644 | 0.84 | TP53 (0.69) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL12325317 | 0.83 | RARB (0.54) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9617840 | 0.83 | NPC1 (0.61) | NPC1LMNANFKB1NFKB2RELA | |
| Hydrochloric Acid SCHEMBL8750113 | 0.83 | TP53 (0.68) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL13309866 | 0.82 | NPC1 (0.67) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL13309867 | 0.82 | NPC1 (0.67) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8750109 | 0.82 | NPC1 (0.60) | 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 |
|---|---|---|---|---|---|---|---|
| JP-59230084-A | — | — | None | — | — | JP | disclosed |
| JP-S59230084-A | LIQUID CRYSTAL COMPOUND | NAGAI YOSHIO | 1984-12-24 | — | — | JP | disclosed |