Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.66 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.66 |
| ▸ | RELA | Q04206 | 3/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.56 |
| ▸ | ACR | P10323 | 1/20 | 0.56 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | THRA | P10827 | 4/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL14192425 | 0.96 | NPC1 (0.62) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL28657555 | 0.92 | TP53 (0.67) | TP53TSHRPLA2G4BKMT2ATHRA | |
| SCHEMBL12348191 | 0.91 | NPC1 (0.67) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL6538549 | 0.90 | TP53 (0.64) | TP53TSHRPLA2G4BKMT2ATHRA | |
| SCHEMBL9457697 | 0.89 | NPC1 (0.81) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL2455384 | 0.89 | NPC1 (0.81) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL2449749 | 0.89 | NPC1 (0.81) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL22341180 | 0.89 | NPC1 (0.81) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL21084422 | 0.89 | NPC1 (0.81) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9403669 | 0.89 | NPC1 (0.81) | 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-7357964-B2 | Liquid-crystalline vinyl ketone derivatives and their polymers | CHISSO CORPORATION (JP) | 2008-04-15 | — | — | US | disclosed |
| US-7357964-B2 | Liquid-crystalline vinyl ketone derivatives and their polymers | CHISSO CORPORATION (JP) | 2008-04-15 | — | — | US | disclosed |
| US-20050012070-A1 | Liquid-crystalline vinyl ketone derivatives and their polymers | JNC PETROCHEMICAL CORPORATION (JP) | 2005-01-20 | — | — | US | disclosed |