Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | ACR | P10323 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 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 |
| ▸ | RARB | P10826 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL9119436 | 0.90 | PRSS1 (0.42) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL8542044 | 0.89 | RARB (0.46) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL8544730 | 0.85 | RARB (0.41) | NPC1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8545316 | 0.79 | RARB (0.44) | LMNACYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL8545577 | 0.79 | RARB (0.41) | RARBHDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL8541991 | 0.76 | RARB (0.39) | RARBTSHRHDAC3HDAC1HDAC2 | |
| SCHEMBL8540087 | 0.75 | RARB (0.42) | RARBHDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL7561627 | 0.72 | LTA4H (0.45) | LMNANPC1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL8545227 | 0.71 | RARB (0.40) | RARBTSHRHDAC3HDAC1HDAC2 | |
| SCHEMBL14131711 | 0.71 | NPC1 (0.67) | PRSS1ACRLMNANPC1CYP1A2 |
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-0736078-B1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING & MFG (US) | 1998-06-24 | — | — | EP | disclosed |