Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 5/20 | 0.68 |
| ▸ | LTA4H | P09960 | 4/20 | 0.66 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.66 |
| ▸ | RARA | P10276 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.51 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6939767 | 0.95 | NR5A1 (0.75) | RARBLTA4HNR5A1RARACYP3A4 | |
| SCHEMBL9016366 | 0.95 | LTA4H (0.72) | RARBLTA4HNR5A1RARACYP3A4 | |
| SCHEMBL197427 | 0.91 | RARB (0.73) | RARBLTA4HRARACYP3A4CYP2D6 | |
| SCHEMBL428018 | 0.91 | LTA4H (0.78) | RARBLTA4HNR5A1CYP3A4CYP2D6 | |
| SCHEMBL10357881 | 0.90 | NR5A1 (0.83) | RARBLTA4HNR5A1CYP3A4APP | |
| SCHEMBL14566123 | 0.90 | NR5A1 (0.83) | RARBLTA4HNR5A1CYP3A4APP | |
| SCHEMBL840785 | 0.90 | NR5A1 (0.83) | RARBLTA4HNR5A1CYP3A4APP | |
| SCHEMBL840786 | 0.90 | NR5A1 (0.83) | RARBLTA4HNR5A1CYP3A4APP | |
| SCHEMBL10743243 | 0.89 | LTA4H (0.75) | RARBLTA4HNR5A1CYP3A4CYP2D6 | |
| SCHEMBL4354892 | 0.89 | APP (0.61) | RARBLTA4HNR5A1APPLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0962445-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS INC (JP) | 2003-02-26 | — | — | EP | disclosed |
| US-6217793-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS, INC. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0962445-A1 | Acetylene compound, liquid crystal composition and liquid crystal element | Mitsui Chemicals, Inc. (JP) | 1999-12-08 | — | — | EP | disclosed |
| US-5132041-A | Liquid crystal compounds having ether tail moiety | POLAROID CORPORATION (US) | 1992-07-21 | — | — | US | disclosed |
| EP-0258578-A2 | Liquid crystal compounds having ether tail moiety | POLAROID CORPORATION (US) | 1988-03-09 | — | — | EP | disclosed |