Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | TLR4 | O00206 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 4/20 | 0.38 |
| ▸ | PPARD | Q03181 | 4/20 | 0.38 |
| ▸ | PPARA | Q07869 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5274773 | 0.88 | CYP1A2 (0.45) | CYP1A2ALDH1A1L3MBTL1PRKCAALOX5 | |
| SCHEMBL6707183 | 0.86 | CYP1A2 (0.53) | CYP1A2ALDH1A1L3MBTL1ALOX5PPARG | |
| SCHEMBL19976638 | 0.86 | CYP1A2 (0.53) | CYP1A2ALDH1A1L3MBTL1ALOX5PPARG | |
| SCHEMBL2690939 | 0.86 | CYP1A2 (0.53) | CYP1A2ALDH1A1L3MBTL1ALOX5PPARG | |
| SCHEMBL2691445 | 0.84 | CYP1A2 (0.55) | CYP1A2ALDH1A1L3MBTL1PPARGMEN1 | |
| SCHEMBL7995818 | 0.83 | CYP1A2 (0.41) | CYP1A2TLR4 | |
| SCHEMBL11832316 | 0.82 | CYP1A2 (0.50) | CYP1A2ALDH1A1L3MBTL1PRKCAALOX5 | |
| SCHEMBL299169 | 0.81 | SCD (0.42) | ALDH1A1L3MBTL1PRKCAALOX5CES2 | |
| SCHEMBL5210228 | 0.80 | CYP1A2 (0.52) | CYP1A2ALDH1A1L3MBTL1PRKCAALOX5 | |
| SCHEMBL10248877 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TLR4MEN1PTPN1KMT2A |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1861364-B1 | PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION | C P PHARMACEUTICALS INTERNAT C V (US) | 2011-05-11 | — | — | EP | claimed |
| EP-0876323-B1 | PROCESS FOR PREPARING CYCLOPENTENONES | ALBEMARLE CORP (US) | 2000-06-28 | — | — | EP | claimed |
| EP-0352944-B1 | Derivatives of N-phenylpyrazoles | RHONE POULENC AGRICULTURE (GB) | 1995-03-01 | — | — | EP | claimed |
| EP-0390370-B1 | AQUEOUS COATING COMPOSITIONS | ZENECA LIMITED (GB) | 1993-06-09 | — | — | EP | claimed |
| EP-3110784-A1 | SYNTHESIS OF DIKETONE COMPOUNDS FROM CARBOHYDRATES | Rhodia Operations (FR) | 2017-01-04 | — | — | EP | disclosed |
| WO-2015127662-A1 | SYNTHESIS OF DIKETONE COMPOUNDS FROM CARBOHYDRATES | RHODIA OPERATIONS (FR) | 2015-09-03 | — | — | WO | disclosed |
| EP-1861364-B1 | PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION | C P PHARMACEUTICALS INTERNAT C V (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-1861364-A1 | PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION | Pfizer Science and Technology Ireland Limited (IE) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006097909-A1 | PREPARATION OF AN ATORVASTATIN INTERMEDIATE USING A PAAL-KNORR CONDENSATION | PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IE) | 2006-09-21 | — | — | WO | disclosed |
| EP-1480943-A2 | SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS | Teva Pharmaceutical Industries Limited (IL) | 2004-12-01 | — | — | EP | disclosed |
| WO-2004046105-A3 | SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS | TEVA PHARMA (IL) | 2004-10-07 | — | — | WO | disclosed |
| WO-2004046105-A2 | SYNTHESIS OF 3,5-DIHYDROXY-7-PYRROL-1-YL HEPTANOIC ACIDS | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2004-06-03 | — | — | WO | disclosed |
| EP-0876323-B1 | PROCESS FOR PREPARING CYCLOPENTENONES | ALBEMARLE CORP (US) | 2000-06-28 | — | — | EP | disclosed |
| EP-0876323-A1 | PROCESS FOR PREPARING CYCLOPENTENONES | ALBEMARLE CORPORATION (US) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997019905-A1 | PROCESS FOR PREPARING CYCLOPENTENONES | ALBEMARLE CORPORATION (US) | 1997-06-05 | — | — | WO | disclosed |