Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | DNTT | P04053 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | MGLL | Q99685 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9360168 | 1.00 | CYP1A2 (0.44) | CYP1A2PPARGDNTTALDH1A1POLB | |
| SCHEMBL4197567 | 1.00 | CYP1A2 (0.44) | CYP1A2PPARGDNTTALDH1A1POLB | |
| SCHEMBL8636587 | 1.00 | CYP1A2 (0.44) | CYP1A2PPARGDNTTALDH1A1POLB | |
| SCHEMBL3373521 | 0.98 | CYP1A2 (0.41) | CYP1A2PPARGDNTTALDH1A1POLB | |
| SCHEMBL4817247 | 0.85 | NFKB1 (0.33) | CYP1A2NFKB1NFKB2RELANLRP3 | |
| SCHEMBL12993916 | 0.82 | CYP1A2 (0.42) | CYP1A2PPARGDNTTALDH1A1POLB | |
| SCHEMBL2845437 | 0.82 | CYP1A2 (0.42) | CYP1A2PPARGDNTTALDH1A1POLB | |
| SCHEMBL4099579 | 0.77 | — | — | |
| SCHEMBL31473484 | 0.77 | CYP1A2 (0.34) | CYP1A2PPARGALDH1A1NFKB1NFKB2 | |
| SCHEMBL31473486 | 0.77 | CYP1A2 (0.34) | CYP1A2PPARGALDH1A1NFKB1NFKB2 |
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 |