Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12821138 | 0.94 | PTGS2 (0.42) | PTGS2MEN1KMT2AHTTRELA | |
| SCHEMBL14766786 | 0.89 | RELA (0.47) | PTGS2CYP1A1CYP1A2CYP1B1MEN1 | |
| SCHEMBL12823723 | 0.89 | MEN1 (0.39) | PTGS2CYP1A1CYP1A2CYP1B1MEN1 | |
| SCHEMBL12718770 | 0.89 | CYP1A1 (0.36) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL10302916 | 0.87 | PTGS2 (0.38) | PTGS2KMT2AFFAR1KDM4ENFE2L2 | |
| SCHEMBL12718318 | 0.87 | CASR (0.35) | CYP1A1CYP1A2CYP1B1RELAFFAR1 | |
| SCHEMBL12739613 | 0.87 | CYP1A1 (0.41) | PTGS2CYP1A1CYP1A2CYP1B1MEN1 | |
| SCHEMBL12739618 | 0.86 | CYP1A1 (0.40) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL12739621 | 0.85 | NFE2L2 (0.50) | PTGS2CYP1A1CYP1A2CYP1B1MEN1 | |
| SCHEMBL12823713 | 0.85 | CYP1A1 (0.51) | PTGS2CYP1A1CYP1A2CYP1B1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009150966-A1 | TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2009-12-17 | — | — | WO | disclosed |