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 | 2/20 | 0.42 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.42 |
| ▸ | MC3R | P41968 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.42 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 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 | |
|---|---|---|---|---|
| Caffeine SCHEMBL29386219 | 0.84 | RXFP1 (0.40) | TP53RXFP1ALDH1A1TSHRALOX15 | |
| Caffeine SCHEMBL6865944 | 0.83 | ADORA2B (0.61) | TP53RXFP1ALDH1A1TSHRADORA2B | |
| Caffeine SCHEMBL4063268 | 0.83 | RXFP1 (0.44) | TP53RXFP1ALDH1A1TSHRALOX15 | |
| Caffeine SCHEMBL15758254 | 0.82 | ADORA2B (0.59) | TP53RXFP1ALDH1A1TSHRADORA2B | |
| Caffeine SCHEMBL27832765 | 0.81 | KMT2A (0.56) | TP53RXFP1TSHRADORA2BPIK3CD | |
| Caffeine SCHEMBL29383251 | 0.80 | TP53 (0.47) | TP53RXFP1ALDH1A1TSHRALOX15 | |
| Benorilate SCHEMBL17558524 | 0.77 | HSD17B10 (0.46) | TP53RXFP1ALDH1A1TSHRALOX15 | |
| Caffeine SCHEMBL10345108 | 0.76 | ADORA2B (0.50) | TP53RXFP1ALDH1A1TSHRALOX15 | |
| Caffeine SCHEMBL7977114 | 0.72 | ADORA2B (0.81) | ADORA2BPIK3CDPOLBADORA3CNR1 | |
| Propyphenazone SCHEMBL29363983 | 0.72 | ADORA3 (0.47) | RXFP1ALDH1A1PKMADORA2BPIK3CD |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117127111-A | Steel for enamel, high-performance hot rolled enamel steel based on steel and preparation method and application of steel | 中国第一汽车股份有限公司 | 2023-11-28 | — | — | CN | claimed |
| CN-115498132-B | Organic electroluminescent device | 长春海谱润斯科技股份有限公司 | 2026-05-12 | — | — | CN | disclosed |
| US-20260116963-A1 | ANTI-IL-13 ANTIBODIES AND METHODS OF USE THEREOF | GENERATE BIOMEDICINES INC (US) | 2026-04-30 | — | — | US | disclosed |
| US-20250249044-A1 | IFNy AND TNFa CO-STIMULATION OF MESENCHYMAL STROMAL CELLS DERIVED FROM MINOR SALIVARY (LABIAL) GLANDS FOR THERAPEUTIC USE | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2025-08-07 | — | — | US | disclosed |
| CN-120040725-A | Space charge transfer polymer luminescent material with polynorbornene skeleton, preparation method and pressure monitoring application | 中国科学院长春应用化学研究所 | 2025-05-27 | — | — | CN | disclosed |
| CN-114946164-B | Improvements in and relating to micro services for MEC networks | 三星电子株式会社 | 2025-05-09 | — | — | CN | disclosed |
| WO-2025072834-A2 | METHOD OF SEQUENCING AND SYNTHESIZING L-POLYNUCLEOTIDE | DXOME CO., LTD. (KR) | 2025-04-03 | — | — | WO | disclosed |
| US-20250089707-A1 | ECO-FRIENDLY QUARANTINE COMPOSITION HAVING FUNCTION OF KILLING PHOSPHOLIPID ENVELOPED VIRUS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2025-03-20 | — | — | US | disclosed |
| CN-115703829-B | Single domain antibodies against SARS-CoV-2 and uses thereof | 厦门大学 | 2025-01-10 | — | — | CN | disclosed |
| EP-4466996-A1 | ECO-FRIENDLY QUARANTINE COMPOSITION HAVING FUNCTION OF KILLING PHOSPHOLIPID ENVELOPED VIRUS | UE Chemical Co., Ltd (KR) | 2024-11-27 | — | — | EP | disclosed |
| EP-4091317-A1 | METHOD AND SYSTEM FOR IMPROVEMENTS IN AND RELATING TO MICROSERVICES FOR MEC NETWORKS | Samsung Electronics Co., Ltd. (KR) | 2022-11-23 | — | — | EP | disclosed |
| CN-115244461-A | Organic EL display device and photosensitive resin composition | 东丽株式会社 | 2022-10-25 | — | — | CN | disclosed |
| US-11459640-B2 | High gamma prime nickel based superalloy, its use, and method of manufacturing of turbine engine components | LIBURDI ENGINEERING LIMITED (CA) | 2022-10-04 | — | — | US | disclosed |
| CN-114946164-A | Improvements in and relating to microservices for MEC networks | 三星电子株式会社 | 2022-08-26 | — | — | CN | disclosed |
| CN-114751459-A | Method for preparing manganese-zinc ferrite fiber and manganese-zinc ferrite fiber | 中国科学院电工研究所 | 2022-07-15 | — | — | CN | disclosed |
| CN-112760525-B | High gamma prime nickel-based superalloy, use thereof and method of manufacturing a turbine engine component | 利宝地工程有限公司 | 2022-06-03 | — | — | CN | disclosed |
| CN-112453759-B | ZrTiNiNbHf brazing filler metal and brazing method | 中国航发北京航空材料研究院 | 2022-05-17 | — | — | CN | disclosed |
| WO-2022098861-A1 | COMPOSITIONS AND METHODS FOR PREPARING RECONSTRUCTED MULTILAYERED EPITHELIAL CELL SHEETS | The Lundquist Institute for Biomedical Innovation at Harbor-UCLA Medical Center (US) | 2022-05-12 | — | — | WO | disclosed |
| EP-3815816-B1 | HIGH GAMMA PRIME NICKEL BASED SUPERALLOY, ITS USE, TURBINE COMPONENTS AND METHOD OF MANUFACTURING THEREOF | LIBURDI ENGINEERING (CA) | 2022-04-27 | — | — | EP | disclosed |
| CN-111203257-B | Composite photocatalyst for producing hydrogen peroxide and preparation method and application thereof | 湖南大学 | 2022-04-08 | — | — | CN | 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-20260116963-A1 | ANTI-IL-13 ANTIBODIES AND METHODS OF USE THEREOF | IL23R, FCGR3B, IL15RA | ADORA2B 4579/4885ADORA3 3121/4885ADORA2A 4652/4885 |
“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.