Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 2/20 | 0.50 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | GLS | O94925 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12824732 | 0.84 | HRH1 (0.52) | GABBR2GABBR1EPHX1TAAR1HTR2A | |
| SCHEMBL7319341 | 0.83 | CYP2C19 (0.57) | GABBR2GABBR1EPHX1TAAR1HTR2A | |
| SCHEMBL27582649 | 0.83 | GABBR2 (0.53) | GABBR2GABBR1EPHX1TAAR1HTR2A | |
| SCHEMBL197934 | 0.83 | CYP2C19 (0.57) | GABBR2GABBR1EPHX1TAAR1HTR2A | |
| SCHEMBL7319347 | 0.83 | CYP2C19 (0.57) | GABBR2GABBR1EPHX1TAAR1HTR2A | |
| SCHEMBL22304942 | 0.82 | ESR1 (0.65) | TAAR1CYP2C19LMNAHSD17B10ESR1 | |
| SCHEMBL13020177 | 0.81 | LMNA (0.58) | LMNAHSD17B10 | |
| SCHEMBL265795 | 0.81 | CYP2C19 (0.46) | EPHX1CYP2C19LMNAHSD17B10ESR1 | |
| SCHEMBL13389213 | 0.81 | LMNA (0.58) | LMNAHSD17B10 | |
| SCHEMBL12323888 | 0.81 | EPHX1 (0.66) | GABBR2GABBR1EPHX1TAAR1HTR2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101891569-B | Preparation method of alpha-aromatic ketone compound | UNIV WUHAN | 2013-07-24 | — | — | CN | claimed |
| US-8119364-B2 | Methods for generating analogs of coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-02-21 | — | — | US | disclosed |
| US-20100304430-A1 | Methods for Generating Analogs of Coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-12-02 | — | — | US | disclosed |
| US-7727738-B2 | Methods for generating analogs of coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-06-01 | — | — | US | disclosed |
| US-20070128683-A1 | Metabolic delivery of coenzyme A analogs | NATIONAL SCIENCE FOUNDATION | 2007-06-07 | — | — | US | disclosed |
| CN-1034170-C | Synthetic method of indandione raticide | LIAONING PROV INST OF CHEMICAL (CN) | 1997-03-05 | — | — | CN | disclosed |
| CN-1074897-A | The synthetic method of indandione raticide | LIAONING INST OF CHEMICAL INDU (CN) | 1993-08-04 | — | — | CN | disclosed |
| US-4650910-A | CLEAVAGE OF N-ACYL-B-PHENETHYLAMINES WITH BASE | BAYER AKTIENGESELLSCHAFT (DE) | 1987-03-17 | — | — | US | disclosed |