Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28996510 | 0.73 | ALOX15 (0.42) | ALOX15HIF1AEPAS1TSHR | |
| SCHEMBL1716985 | 0.72 | ALOX15 (0.49) | ALOX15HIF1AEPAS1TSHRALDH1A1 | |
| SCHEMBL11295977 | 0.71 | ALOX15 (0.52) | ALOX15HIF1AEPAS1TSHRALDH1A1 | |
| SCHEMBL3375028 | 0.71 | ALOX15 (0.47) | ALOX15HIF1AEPAS1TSHRALDH1A1 | |
| SCHEMBL1705141 | 0.71 | ALOX15 (0.44) | ALOX15HIF1AEPAS1ALDH1A1 | |
| SCHEMBL1705365 | 0.70 | ALOX15 (0.46) | ALOX15HIF1AEPAS1TSHRALDH1A1 | |
| SCHEMBL1472835 | 0.70 | ALOX15 (0.46) | ALOX15HIF1AEPAS1TSHR | |
| SCHEMBL1705337 | 0.70 | ALOX15 (0.46) | ALOX15HIF1AEPAS1TSHRALDH1A1 | |
| SCHEMBL2814006 | 0.69 | — | — | |
| SCHEMBL24604160 | 0.68 | ALOX15 (0.57) | ALOX15HIF1AEPAS1TSHRALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8507562-B2 | Synthesis of (1)-beta-elemene, (-)-beta-elemenal, (-)-beta-elemenol, (-)-beta-elemene fluoride and their analogues, intermediates, and composition and uses thereof | HYWE PHARMACEUTICALS, INC. (US) | 2013-08-13 | — | — | US | disclosed |
| EP-1773741-A4 | SYNTHESIS OF (-)-BETA-ELEMENE, (-)-BETA-ELEMENAL, (-)-BETA-ELEMENOL, (-)-BETA-ELEMENE FLUORIDE AND THEIR ANALOGUES, INTERMEDIATES AND COMPOSITION AND USES THEREOF | LONG RANGE INTERNAT USA LTD IN (US) | 2008-07-09 | — | — | EP | disclosed |
| EP-1689493-A4 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2008-04-23 | — | — | EP | disclosed |
| US-20070135526-A1 | Synthesis of (1)-beta-elemene, (-)-beta-elemenal, (-)-beta-elemenol, (-)-beta-elemene fluoride and their analogues, intermediates, and composition and uses thereof | LONG RANGE INTERNATIONAL USA LIMITED, INC. | 2007-06-14 | — | — | US | disclosed |
| EP-1773741-A2 | SYNTHESIS OF (-)-BETA-ELEMENE, (-)-BETA-ELEMENAL, (-)-BETA-ELEMENOL, (-)-BETA-ELEMENE FLUORIDE AND THEIR ANALOGUES, INTERMEDIATES AND COMPOSITION AND USES THEREOF | Long Range International USA Limited, Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1689493-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Pharma Company (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2006016912-A2 | SYNTHESIS OF (-)-BETA-ELEMENE, (-)-BETA-ELEMENAL, (-)-BETA-ELEMENOL, (-)-BETA-ELEMENE FLUORIDE AND THEIR ANALOGUES, INTERMEDIATES AND COMPOSITION AND USES THEREOF | LONG RANGE INTERNATIONAL USA LIMITED, INC. (US) | 2006-02-16 | — | — | WO | disclosed |
| US-20060014987-A1 | Synthesis of beta-elemene, intermediates thereto, analogues and uses thereof | HUANG LAN | 2006-01-19 | — | — | US | disclosed |
| WO-2005065779-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-07-21 | — | — | WO | disclosed |
| EP-1539766-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2003104236-A1 | CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-18 | — | — | WO | disclosed |