Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.44 |
| ▸ | RELA | Q04206 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.41 |
| ▸ | RARB | P10826 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL8733449 | 1.00 | NPC1 (0.44) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8728160 | 0.92 | THRA (0.41) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8728167 | 0.92 | THRA (0.41) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8733500 | 0.89 | NPC1 (0.47) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8733455 | 0.88 | PTPN11 (0.39) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8733452 | 0.88 | PTPN11 (0.39) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9477526 | 0.88 | NPC1 (0.57) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9457633 | 0.88 | NPC1 (0.57) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9406028 | 0.88 | NPC1 (0.57) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9406307 | 0.88 | NPC1 (0.57) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0703955-B1 | LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES | SECR DEFENCE BRIT (GB) | 1998-11-11 | — | — | EP | disclosed |