Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL8454745 | 1.00 | CYP1A2 (0.73) | CYP1A2SIGMAR1LMNAMAPK1HTT | |
| SCHEMBL9455137 | 0.95 | CYP1A2 (0.73) | CYP1A2SIGMAR1LMNAMAPK1HTT | |
| SCHEMBL8531261 | 0.90 | CYP1A2 (0.81) | CYP1A2SIGMAR1LMNAMAPK1HTT | |
| SCHEMBL8531254 | 0.90 | CYP1A2 (0.81) | CYP1A2SIGMAR1LMNAMAPK1HTT | |
| SCHEMBL9255497 | 0.90 | CYP1A2 (0.64) | CYP1A2SIGMAR1NOS3NOS1NOS2 | |
| SCHEMBL23227948 | 0.89 | CYP1A2 (0.62) | CYP1A2SIGMAR1LMNAMAPK1NOS3 | |
| SCHEMBL905661 | 0.89 | CYP1A2 (0.70) | CYP1A2SIGMAR1NOS3NOS1NOS2 | |
| SCHEMBL97288 | 0.89 | CYP1A2 (0.70) | CYP1A2SIGMAR1NOS3NOS1NOS2 | |
| SCHEMBL7741556 | 0.89 | CYP1A2 (0.70) | CYP1A2SIGMAR1NOS3NOS1NOS2 | |
| SCHEMBL11726232 | 0.89 | CYP1A2 (0.70) | CYP1A2SIGMAR1NOS3NOS1NOS2 |
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-0672742-B1 | A hexenediyne derivative and a liquid crystal composition | CHISSO CORP (JP) | 1999-02-10 | — | — | EP | disclosed |
| EP-0733610-B1 | Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device | CHISSO CORP (JP) | 1998-10-28 | — | — | EP | disclosed |
| EP-0733610-A1 | Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device | Chisso Corporation (JP) | 1996-09-25 | — | — | EP | disclosed |
| US-5454975-A | Electrooptical display | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-10-03 | — | — | US | disclosed |
| EP-0672742-A1 | A hexenediyne derivative and a liquid crystal composition | CHISSO CORPORATION (JP) | 1995-09-20 | — | — | EP | disclosed |