Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.48 |
| ▸ | RELA | Q04206 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | ACR | P10323 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9711867 | 1.00 | NPC1 (0.48) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9711877 | 1.00 | NPC1 (0.48) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9711725 | 1.00 | NPC1 (0.48) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9711970 | 0.97 | LMNA (0.47) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9711979 | 0.97 | LMNA (0.47) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9711977 | 0.96 | LMNA (0.46) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9711967 | 0.96 | LMNA (0.46) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9712057 | 0.94 | CYP2C9 (0.47) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9712051 | 0.94 | CYP2C9 (0.47) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL12840323 | 0.91 | LMNA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5082589-A | Liquid crystalline esters | HOFFMANN-LA ROCHE INC. (US) | 1992-01-21 | — | — | US | disclosed |
| US-4925278-A | Liquid crystalline esters | HOFFMANN-LA ROCHE INC. (US) | 1990-05-15 | — | — | US | disclosed |
| US-4830470-A | Liquid crystalline esters | HOFFMANN-LA ROCHE INC. (US) | 1989-05-16 | — | — | US | disclosed |