Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Caffeine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B known ✓ | P29275 | 10/20 | 0.96 |
| ▸ | ADORA2A known ✓ | P29274 | 2/20 | 0.96 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.96 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.96 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.96 |
| ▸ | POLB | P06746 | 1/20 | 0.96 |
| ▸ | CNR1 | P21554 | 1/20 | 0.96 |
| ▸ | ACHE | P22303 | 1/20 | 0.96 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.96 |
| ▸ | MC3R | P41968 | 1/20 | 0.96 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.96 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.96 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.96 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.96 |
| ▸ | PDE4A | P27815 | 1/20 | 0.63 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.63 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Caffeine SCHEMBL29590919 | 0.98 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL901194 | 0.98 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL29549224 | 0.98 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL29549294 | 0.98 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL8569482 | 0.98 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL10478364 | 0.98 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL5671 | 0.98 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL23004680 | 0.96 | ADORA2B (0.96) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL165192 | 0.96 | ADORA2B (0.96) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL9252875 | 0.96 | ADORA2B (0.96) | ADORA2BADORA2APIK3CDPOLBADORA3 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117664689-B | Method for analyzing or identifying sweet potato/tapioca starch based on nitrogen stable isotope | 南京市食品药品监督检验院 | 2024-04-16 | — | — | CN | disclosed |
| CN-117664689-A | Method for analyzing or identifying sweet potato/tapioca starch based on nitrogen stable isotope | 南京市食品药品监督检验院 | 2024-03-08 | — | — | CN | disclosed |
| EP-3701800-B1 | USE | BARRY CALLEBAUT AG (CH) | 2023-06-07 | — | — | EP | disclosed |
| EP-3701800-A1 | USE | Barry Callebaut AG (CH) | 2020-09-02 | — | — | EP | disclosed |
| US-10701951-B2 | Process of producing cocoa shell powder | BARRY CALLEBAUT AG (CH) | 2020-07-07 | — | — | US | disclosed |
| US-10477877-B2 | Cocoa shell powder and process of making | BARRY CALLEBAUT AG (CH) | 2019-11-19 | — | — | US | disclosed |
| EP-2793599-B1 | PROCESS | BARRY CALLEBAUT AG (CH) | 2019-05-29 | — | — | EP | disclosed |
| US-20180317516-A1 | PROCESS, USE, AND PRODUCT | BARRY CALLEBAUT AG (CH) | 2018-11-08 | — | — | US | disclosed |
| US-9375024-B2 | Process of producing cocoa shell powder | BARRY CALLEBAUT AG (CH) | 2016-06-28 | — | — | US | disclosed |
| US-20160135478-A1 | PROCESS, USE, AND PRODUCT | BARRY CALLEBAUT AG (CH) | 2016-05-19 | — | — | US | disclosed |
| EP-2793599-A1 | PROCESS, USE AND PRODUCT | Barry Callebaut AG (CH) | 2014-10-29 | — | — | EP | disclosed |
| US-8697171-B2 | Preparation process of purified green-tea extract | KAO CORPORATION (JP) | 2014-04-15 | — | — | US | disclosed |
| US-20130302473-A1 | PROCESS, USE AND PRODUCT | BARRY CALLEBAUT AG (CH) | 2013-11-14 | — | — | US | disclosed |
| WO-2013091121-A1 | PROCESS, USE AND PRODUCT | BARRY CALLEBAUT AG (CH) | 2013-06-27 | — | — | WO | disclosed |
| US-20090104337-A1 | PROCESS FOR PRODUCING PURIFIED GREEN TEA EXTRACT | KAO CORPORATION (JP) | 2009-04-23 | — | — | US | disclosed |
| US-20090081350-A1 | PROCESS FOR PRODUCING PURIFIED GREEN TEA EXTRACT | KAO CORPORATION (JP) | 2009-03-26 | — | — | US | disclosed |
| EP-2008524-A1 | PROCESS FOR PRODUCING PURIFIED GREEN TEA EXTRACT | Kao Corporation (JP) | 2008-12-31 | — | — | EP | disclosed |
| EP-2008525-A1 | PROCESS FOR PRODUCING PURIFIED GREEN TEA EXTRACT | Kao Corporation (JP) | 2008-12-31 | — | — | EP | disclosed |
| US-20070059424-A1 | Preparation process of purified green-tea extract | KAO CORPORATION (JP) | 2007-03-15 | — | — | US | disclosed |