Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGB1 | P09429 | 2/20 | 0.35 |
| ▸ | CXCL12 | P48061 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL39468 | 0.78 | TSHR (0.39) | HMGB1CXCL12CA12CA1CA2 | |
| SCHEMBL40170 | 0.73 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29356006 | 0.73 | CA12 (0.43) | HMGB1CXCL12CA12CA1CA2 | |
| SCHEMBL28877428 | 0.72 | AKR1C2 (0.39) | HMGB1CXCL12CA12CA1CA2 | |
| SCHEMBL23796632 | 0.69 | CA12 (0.37) | HMGB1CXCL12CA12CA1CA2 | |
| SCHEMBL28877408 | 0.68 | ALDH1A1 (0.37) | HMGB1CXCL12CA12CA1CA2 | |
| SCHEMBL686599 | 0.68 | CA12 (0.54) | HMGB1CXCL12CA12CA1CA2 | |
| SCHEMBL39260 | 0.68 | ALDH1A1 (0.48) | HMGB1CXCL12CA12CA1CA2 | |
| SCHEMBL6723605 | 0.65 | ALDH1A1 (0.39) | HMGB1CXCL12CA12CA1CA2 | |
| SCHEMBL40166 | 0.64 | PTPN1 (0.59) | HMGB1CXCL12ALOX5PTGS2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1154981-B1 | LIQUID CRYSTAL COMPOUNDS | ROLIC AG (CH) | 2004-07-21 | — | — | EP | disclosed |
| US-6676851-B1 | LOW MELTING, GOOD ALIGNMENT ARYL BRANCHED ETHER-ESTER LINKED DIACRYLATES; REMAIN STABLE DURING COATING AND CROSSLINKING | ROLIC AG (CH) | 2004-01-13 | — | — | US | disclosed |
| EP-1154981-A1 | LIQUID CRYSTAL COMPOUNDS | Rolic AG (CH) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000048985-A1 | LIQUID CRYSTAL COMPOUNDS | ROLIC AG (CH) | 2000-08-24 | — | — | WO | disclosed |