Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.41 |
| ▸ | RELA | Q04206 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TAOK3 | Q9H2K8 | 3/20 | 0.39 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | ACR | P10323 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8777446 | 0.91 | MCHR1 (0.34) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8777467 | 0.84 | NPC1 (0.43) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8777445 | 0.83 | NPC1 (0.41) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9127056 | 0.83 | NPC1 (0.58) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9127434 | 0.83 | NPC1 (0.58) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8777443 | 0.82 | RARB (0.42) | NPC1NFKB1NFKB2RELASMN1; SMN2 | |
| SCHEMBL8535829 | 0.81 | TP53 (0.55) | TAOK3TAOK1TP53TSHRPLA2G4B | |
| SCHEMBL8750108 | 0.81 | NPC1 (0.51) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8750112 | 0.81 | NPC1 (0.51) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8750115 | 0.81 | NPC1 (0.51) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0549347-B1 | Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements | MITSUI PETROCHEMICAL IND (JP) | 1997-10-29 | — | — | EP | disclosed |
| EP-0549347-A1 | Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-30 | — | — | EP | disclosed |