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 SCHEMBL9252875 | 1.00 | ADORA2B (0.96) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL14856489 | 0.98 | ADORA2B (0.93) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL9237576 | 0.98 | ADORA2B (0.93) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL29590919 | 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 SCHEMBL29549294 | 0.98 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL5671 | 0.98 | ADORA2B (1.00) | ADORA2BADORA2APIK3CDPOLBADORA3 | |
| Caffeine SCHEMBL8569482 | 0.98 | ADORA2B (1.00) | 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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240215633-A1 | INHALABLE COMPOSITIONS COMPRISING CAFFEINE, METHODS OF USE AND AN APPARATUS FOR USING THE SAME | Ahkeo Ventures LLC (US) | 2024-07-04 | — | — | US | claimed |
| CN-115572296-B | Method for reducing absorbance index of caffeine product | 青岛科技大学 | 2023-11-21 | — | — | CN | claimed |
| CN-115572296-A | Method for reducing absorbance index of caffeine product | 青岛科技大学 | 2023-01-06 | — | — | CN | claimed |
| US-20200338281-A1 | INHALABLE COMPOSITIONS COMPRISING CAFFEINE, METHODS OF USE AND AN APPARATUS FOR USING THE SAME | Ahkeo Ventures LLC (US) | 2020-10-29 | — | — | US | claimed |
| US-10632266-B2 | Inhalable compositions comprising caffeine, methods of use and an apparatus for using the same | Ahkeo Ventures LLC (US) | 2020-04-28 | — | — | US | claimed |
| US-20190091420-A1 | INHALABLE COMPOSITIONS COMPRISING CAFFEINE, METHODS OF USE AND AN APPARATUS FOR USING THE SAME | Ahkeo Ventures LLC (US) | 2019-03-28 | — | — | US | claimed |
| EP-2884962-A2 | PREPARATION OF DESICCATED LIPOSOMES FOR USE IN COMPRESSIBLE DELIVERY SYSTEMS | Smartek International LLC (US) | 2015-06-24 | — | — | EP | claimed |
| WO-2014028796-A2 | PREPARATION OF DESICCATED LIPOSOMES FOR USE IN COMPRESSIBLE DELIVERY SYSTEMS | SMARTEK INTERNATIONAL LLC (US) | 2014-02-20 | — | — | WO | claimed |
| CN-101014333-A | Oral compositions comprising loxoprofen | SANKYO CO (JP) | 2007-08-08 | — | — | CN | claimed |
| CN-1818635-A | THz inspection and fingerprint spectrum for 12 drugs | SHOUDU NORMAL UNIV (CN) | 2006-08-16 | — | — | CN | claimed |
| US-20260070799-A1 | ORGANIC HEXACYANOFERRATES: SYNTHESES AND USES | WALKER CANCER RESEARCH INSTITUTE, INC. (US) | 2026-03-12 | — | — | US | disclosed |
| US-20240215633-A1 | INHALABLE COMPOSITIONS COMPRISING CAFFEINE, METHODS OF USE AND AN APPARATUS FOR USING THE SAME | Ahkeo Ventures LLC (US) | 2024-07-04 | — | — | US | disclosed |
| WO-2024107115-A1 | METHODS OF COMPOUNDING AN INJECTABLE DRUG INTO A FILM OR WAFER AND SYSTEMS THEREOF | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2024-05-23 | — | — | WO | disclosed |
| CN-115572296-A | Method for reducing absorbance index of caffeine product | 青岛科技大学 | 2023-01-06 | — | — | CN | disclosed |
| US-11273125-B2 | Preparation of desiccated liposomes for use in compressible delivery systems | MOUNTAIN VALLEY MD (CA) | 2022-03-15 | — | — | US | disclosed |
| US-4971806-A | Multi-layered chewing gum composition having different rates of flavor release | WARNER-LAMBERT COMPANY (US) | 1990-11-20 | — | — | US | disclosed |
| US-4753805-A | GRINDING, BLENDING, COMPRESSING | WARNER-LAMBERT COMPANY (US) | 1988-06-28 | — | — | US | disclosed |
| EP-0150934-B1 | A MULTI-LAYERED CHEWING GUM COMPOSITION AND A PROCESS FOR THE PRODUCTION THEREOF | WARNER-LAMBERT COMPANY (US) | 1987-06-16 | — | — | EP | disclosed |
| EP-0151344-A2 | A chewing gum composition, a process for preparing a chewing gum tablet therefrom, and a chewing gum tablet | WARNER-LAMBERT COMPANY (US) | 1985-08-14 | — | — | EP | disclosed |
| EP-0150934-A2 | A multi-layered chewing gum composition and a process for the production thereof | WARNER-LAMBERT COMPANY (US) | 1985-08-07 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20260070799-A1 | ORGANIC HEXACYANOFERRATES: SYNTHESES AND USES | FH, FECH, CYC1 | ADORA2B 4351/4885ADORA2A 3175/4885ADORA3 2645/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.