Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 3/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8766249 | 0.90 | RARA (0.41) | ERN1MCHR1CHRM1HTR2AGRM5 | |
| SCHEMBL8767188 | 0.89 | RARB (0.45) | FFAR4FFAR1ERN1ALDH1A1NPC1 | |
| SCHEMBL9469188 | 0.85 | NQO1 (0.50) | NQO1ALDH1A1GRM5CACNA1C | |
| SCHEMBL8767592 | 0.85 | CHRNA7 (0.40) | CHRNA7NQO1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL9433084 | 0.84 | CHRNA7 (0.39) | CHRNA7NQO1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL9433854 | 0.84 | MAOB (0.38) | ALDH1A1MCHR1MAPTSMN1; SMN2CHRM1 | |
| SCHEMBL8766246 | 0.83 | CYP17A1 (0.39) | CYP11B1CYP11B2L3MBTL1GRM5 | |
| SCHEMBL9751747 | 0.82 | NQO1 (0.54) | CHRNA7FFAR4FFAR1NQO1CYP11B1 | |
| SCHEMBL8766258 | 0.81 | CYP17A1 (0.37) | CYP11B1CYP11B2ALDH1A1NPC1RAB9A | |
| SCHEMBL9434250 | 0.79 | MCHR1 (0.40) | ERN1NPC1RAB9AMCHR1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0543244-B1 | Fluoro substituted tolans and liquid crystal mixtures containing them | MERCK PATENT GMBH (DE) | 1997-08-20 | — | — | EP | disclosed |
| US-5372746-A | Fluoro-substituted tolane compounds and liquid crystalline mixtures containing same | HOFFMANN-LA ROCHE INC. (US) | 1994-12-13 | — | — | US | disclosed |
| EP-0543244-A1 | Fluoro substituted tolans and liquid crystal mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1993-05-26 | — | — | EP | disclosed |