Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DGKA | P23743 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | PAM | P19021 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 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 | |
|---|---|---|---|---|
| SCHEMBL10688843 | 0.87 | ALDH1A1 (0.46) | ALDH1A1DGKATSHRLMNAHSD17B10 | |
| SCHEMBL15387119 | 0.86 | DGKA (0.57) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL8863613 | 0.84 | ALDH1A1 (0.48) | ALDH1A1DGKATSHRLMNAHSD17B10 | |
| SCHEMBL15387137 | 0.84 | DGKA (0.60) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL15387118 | 0.84 | DGKA (0.60) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL15387204 | 0.84 | DGKA (0.60) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL10494100 | 0.84 | DGKA (0.60) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL15387211 | 0.84 | DGKA (0.60) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL14931746 | 0.84 | DGKA (0.60) | ALDH1A1DGKATSHRLMNAPAM | |
| SCHEMBL525740 | 0.83 | ALDH1A1 (0.46) | ALDH1A1DGKATSHRLMNAHSD17B10 |
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-1578741-A1 | AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS | 4SC AG (DE) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004056797-A1 | AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS | 4SC AG (DE) | 2004-07-08 | — | — | WO | disclosed |
| WO-2003006425-A9 | NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS | 4SC AG (DE) | 2004-02-26 | — | — | WO | disclosed |