Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | TLR4 | O00206 | 3/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8640047 | 0.96 | CYP1A2 (0.38) | CYP1A2TLR4NFKB1NFKB2RELA | |
| SCHEMBL8640528 | 0.91 | TLR4 (0.43) | TLR4MAPTLMNA | |
| SCHEMBL8635030 | 0.84 | TLR4 (0.31) | TLR4 | |
| SCHEMBL2777191 | 0.73 | NFKB1 (0.41) | CYP1A2TLR4NFKB1NFKB2RELA | |
| SCHEMBL6752745 | 0.71 | CYP1A2 (0.47) | CYP1A2TLR4MAPTLMNAMAPK1 | |
| SCHEMBL7782150 | 0.71 | CYP1A2 (0.47) | CYP1A2TLR4MAPTLMNAMAPK1 | |
| SCHEMBL6734843 | 0.71 | CYP1A2 (0.47) | CYP1A2TLR4MAPTLMNAMAPK1 | |
| SCHEMBL10486366 | 0.69 | CYP1A2 (0.64) | CYP1A2TLR4MAPTLMNAMAPK1 | |
| SCHEMBL10706384 | 0.69 | CYP1A2 (0.64) | CYP1A2TLR4MAPTLMNAMAPK1 | |
| SCHEMBL10486374 | 0.69 | CYP1A2 (0.64) | CYP1A2TLR4MAPTLMNAMAPK1 |
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-0571652-B1 | Liquid crystalline substituted dihydrobenzene derivatives | CITIZEN WATCH CO LTD (JP) | 1998-08-05 | — | — | EP | disclosed |
| US-5342546-A | Liquid crystal compositions | L.C.C. CONSULTANTS CO., LTD. (JP) | 1994-08-30 | — | — | US | disclosed |
| EP-0571652-A1 | Liquid crystalline substituted dihydrobenzene derivatives | L.C.C. CONSULTANTS CO., LTD. (JP) | 1993-12-01 | — | — | EP | disclosed |