Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CTSA | P10619 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 12/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17193138 | 0.92 | PTGS2 (0.43) | CTSAPTGS2ALDH1A1PTGS1KDM4E | |
| SCHEMBL802792 | 0.88 | ACHE (0.42) | ACHEPTGS2ALDH1A1CYP3A4PTGS1 | |
| SCHEMBL16848662 | 0.86 | ACHE (0.41) | ACHEPTGS2ALDH1A1CYP3A4PTGS1 | |
| SCHEMBL13263131 | 0.84 | ERN1 (0.50) | CTSAPTGS2ALDH1A1CYP3A4KDM4E | |
| SCHEMBL27262721 | 0.83 | ESR1 (0.46) | ACHEALDH1A1CYP3A4KDM4ENPC1 | |
| SCHEMBL20010647 | 0.83 | ALDH1A1 (0.44) | ACHEPTGS2ALDH1A1PTGS1KDM4E | |
| SCHEMBL12994542 | 0.82 | AAK1 (0.39) | ACHECTSAPTGS2ALDH1A1CYP3A4 | |
| SCHEMBL13967517 | 0.80 | PTGS2 (0.46) | PTGS2CYP3A4PTGS1LMNAMAPT | |
| SCHEMBL10303393 | 0.80 | ABCB1 (0.42) | PTGS2ALDH1A1PTGS1KDM4E | |
| SCHEMBL12508085 | 0.80 | CYP2C19 (0.54) | ACHEKDM4ENPC1MAPTRAB9A |
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-2206695-A1 | TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2010-07-14 | — | — | EP | disclosed |