Caffeine

Caffeine

SCHEMBL9390943

Cn1c(=O)c2c(ncn2C)n(C)c1=O.[InH3]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3

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)

geneUniProtsupporting neighboursconfidence
▸ 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.

Compoundsimilaritytop predictedshared targets
Caffeine SCHEMBL29590919 0.98 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL5671 0.98 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL29549294 0.98 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL8569482 0.98 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL901194 0.98 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL10478364 0.98 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL29549224 0.98 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL23004680 0.96 ADORA2B (0.96) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL10407512 0.96 ADORA2B (0.96) ADORA2BADORA2APIK3CDPOLBADORA3
Caffeine SCHEMBL569367 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210193548-A1 STIM/LIQUID METAL FILLED LASER DRILL TRENCH TO IMPROVE COOLING OF STACKED BOTTOM DIE SK Hynix NAND Product Solutions Corp. (dba Solidigm) 2021-06-24 — — US claimed
JP-6028104-A — — None — — JP disclosed
US-20240030086-A1 BGA STIM PACKAGE ARCHITECTURE FOR HIGH PERFORMANCE SYSTEMS INTEL CORP (US) 2024-01-25 — — US disclosed
US-11854931-B2 STIM/liquid metal filled laser drill trench to improve cooling of stacked bottom die INTEL CORPORATION (US) 2023-12-26 — — US disclosed
US-11830783-B2 Embedded substrate heat sink for bottom side cooling INTEL CORPORATION (US) 2023-11-28 — — US disclosed
US-11832419-B2 Full package vapor chamber with IHS INTEL CORPORATION (US) 2023-11-28 — — US disclosed
US-11817364-B2 BGA STIM package architecture for high performance systems INTEL CORPORATION (US) 2023-11-14 — — US disclosed
US-11670561-B2 3D buildup of thermally conductive layers to resolve die height differences INTEL CORPORATION (US) 2023-06-06 — — US disclosed
US-11664293-B2 Solid state thermoelectric cooler in silicon backend layers for fast cooling in turbo scenarios INTEL CORPORATION (US) 2023-05-30 — — US disclosed
CN-114730746-A Thermally conductive pillar/active die for improved cooling of stacked bottom die 英特尔公司 2022-07-08 — — CN disclosed
US-20210193552-A1 THERMALLY CONDUCTIVE SLUGS/ACTIVE DIES TO IMPROVE COOLING OF STACKED BOTTOM DIES SK Hynix NAND Product Solutions Corp. (dba Solidigm) 2021-06-24 — — US disclosed
US-20210195798-A1 FULL PACKAGE VAPOR CHAMBER WITH IHS INTEL CORPORATION 2021-06-24 — — US disclosed
CN-113013115-A 3D structure of heat conduction layer for solving tube core height difference 英特尔公司 2021-06-22 — — CN disclosed
US-20210125897-A1 SOLID STATE THERMOELECTRIC COOLER IN SILICON BACKEND LAYERS FOR FAST COOLING IN TURBO SCENARIOS INTEL CORPORATION 2021-04-29 — — US disclosed
US-20210118756-A1 HYBRID INTERPOSER OF GLASS AND SILICON TO REDUCE THERMAL CROSSTALK INTEL CORPORATION 2021-04-22 — — US disclosed
US-20210111091-A1 EMBEDDED SUBSTRATE HEAT SINK FOR BOTTOM SIDE COOLING INTEL CORPORATION 2021-04-15 — — US disclosed
US-20210104448-A1 LATERAL HEAT REMOVAL FOR 3D STACK THERMAL MANAGEMENT INTEL CORPORATION 2021-04-08 — — US disclosed
US-20160197025-A1 Method of Fabricating an Electronic Device DOW CORNING CORPORATION 2016-07-07 — — US disclosed
WO-2014099132-A1 METHOD OF FABRICATING AN ELECTRONIC DEVICE DOW CORNING CORPORATION (US) 2014-06-26 — — WO disclosed
JP-H0628104-A TRANSPARENT TOUCH PANEL MATSUSHITA ELECTRIC IND CO LTD 1994-02-04 — — JP disclosed
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