Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29597103 | 0.86 | PTGS1 (0.45) | PTGS1PTGS2SKP2CNR1ALDH1A1 | |
| SCHEMBL311370 | 0.86 | PTGS1 (0.45) | PTGS1PTGS2SKP2CNR1ALDH1A1 | |
| SCHEMBL29380988 | 0.86 | PTGS1 (0.45) | PTGS1PTGS2SKP2CNR1ALDH1A1 | |
| SCHEMBL8467261 | 0.84 | ESR1 (0.37) | PTGS1PTGS2SKP2CNR1ESR1 | |
| SCHEMBL8072351 | 0.83 | PTGS1 (0.39) | PTGS1PTGS2SKP2CNR1ALDH1A1 | |
| SCHEMBL25707647 | 0.79 | NR3C2 (0.49) | PTGS1PTGS2ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL29492438 | 0.77 | TYR (0.62) | HTTCYP3A4 | |
| SCHEMBL21830527 | 0.77 | TYR (0.62) | HTTCYP3A4 | |
| SCHEMBL27113154 | 0.77 | TAAR1 (0.42) | PTGS1PTGS2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23240081 | 0.76 | TAAR1 (0.41) | PTGS1PTGS2SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6096680-A | REUSABLE ALUMINUM FRIEDEL-CRAFTS CATALYSTS; FORMED FROM AN ALUMINUM TRIHALIDE, ALKALI METAL HALIDE OR PSEUDOHALIDE, ALKALINE EARTH METAL HALIDE, QUATERNARY AMMONIUM, PHOSPHONIUM AND/OR SULFONIUM SALT AND AN AROMATIC HYDROCARBON | ALBEMARLE CORPORATION (US) | 2000-08-01 | — | — | US | disclosed |
| WO-1999054038-A1 | LIQUID CLATHRATE COMPOSITIONS | ALBEMARLE CORPORATION (US) | 1999-10-28 | — | — | WO | disclosed |
| EP-0838447-A1 | Processes employing reusable aluminum catalysts | ALBEMARLE CORPORATION (US) | 1998-04-29 | — | — | EP | disclosed |