Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.45 |
| ▸ | RELA | Q04206 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | RARA | P10276 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9225952 | 1.00 | RARB (0.46) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL7754291 | 0.97 | RARB (0.49) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL7755306 | 0.97 | RARB (0.43) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL7755117 | 0.97 | RARB (0.43) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL9528090 | 0.97 | RARB (0.43) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL8821916 | 0.97 | RARB (0.43) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL7754313 | 0.96 | RARB (0.46) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL7755308 | 0.96 | RARB (0.48) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL8664192 | 0.96 | RARB (0.46) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL7755189 | 0.96 | RARB (0.46) | RARBNPC1LMNANFKB1NFKB2 |
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-0422996-B1 | Liquid crystal compound | SHOWA SHELL SEKIYU (JP) | 1995-04-12 | — | — | EP | disclosed |
| US-5328641-A | Naphthalene ester derivatives with trifluoromethyl groups | SHOWA SHELL SEKIYU KABUSHIKI KAISHA | 1994-07-12 | — | — | US | disclosed |
| US-5207947-A | Trifluoroalkyl diaryl triesters; antiferroelectricity; electrooptics | SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) | 1993-05-04 | — | — | US | disclosed |