Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.52 |
| ▸ | RAB9A | P51151 | 8/20 | 0.52 |
| ▸ | PKM | P14618 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL20143351 | 0.83 | NPC1 (0.46) | NPC1RAB9APKMGAASMN1; SMN2 | |
| SCHEMBL14404856 | 0.81 | DHODH (0.60) | NPC1RAB9APKMGAASMN1; SMN2 | |
| SCHEMBL21583063 | 0.74 | NPC1 (0.44) | NPC1RAB9APKMGAASMN1; SMN2 | |
| SCHEMBL1831591 | 0.74 | NPC1 (0.55) | NPC1RAB9APKMGAASMN1; SMN2 | |
| SCHEMBL1185009 | 0.73 | NPC1 (0.63) | NPC1RAB9APKMGAASMN1; SMN2 | |
| SCHEMBL18473251 | 0.71 | GAA (0.45) | NPC1RAB9AGAASMN1; SMN2KDM4E | |
| SCHEMBL7136008 | 0.71 | NPC1 (0.54) | NPC1RAB9APKMGAASMN1; SMN2 | |
| SCHEMBL22135106 | 0.70 | NPC1 (0.40) | NPC1RAB9APKMGAASMN1; SMN2 | |
| SCHEMBL16657872 | 0.70 | RAB9A (0.50) | NPC1RAB9APKMGAASMN1; SMN2 | |
| SCHEMBL7091557 | 0.69 | RAB9A (0.59) | NPC1RAB9APKMGAASMN1; SMN2 |
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-3575381-B1 | LIQUID CRYSTAL ALIGNING AGENT COMPOSITION, METHOD FOR MANUFACTURING LIQUID CRYSTAL ALIGNING FILM USING SAME, LIQUID CRYSTAL ALIGNING FILM USING SAME, AND LIQUID CRYSTAL DISPLAY DEVICE | LG CHEMICAL LTD (KR) | 2020-12-30 | — | — | EP | disclosed |