Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.60 |
| ▸ | RELA | Q04206 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9488413 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9489033 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL7149029 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9487267 | 0.99 | LMNA (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9488669 | 0.96 | TSHR (0.62) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9489051 | 0.95 | TSHR (0.63) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9489116 | 0.95 | TSHR (0.63) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9487467 | 0.95 | TSHR (0.63) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9489353 | 0.95 | TSHR (0.63) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9488526 | 0.94 | TSHR (0.64) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5236618-A | Liquid crystal phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-17 | — | — | US | disclosed |
| EP-0168043-B1 | LIQUID CRYSTAL PHASE | MERCK PATENT GmbH (DE) | 1990-11-07 | — | — | EP | disclosed |
| US-4744918-A | Liquid crystal phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-05-17 | — | — | US | disclosed |
| EP-0168043-A2 | Liquid crystal phase | MERCK PATENT GmbH (DE) | 1986-01-15 | — | — | EP | disclosed |