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 | 7/20 | 0.59 |
| ▸ | ADORA2A known ✓ | P29274 | 2/20 | 0.59 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.59 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 2/20 | 0.59 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | CNR1 | P21554 | 1/20 | 0.59 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.59 |
| ▸ | MC3R | P41968 | 1/20 | 0.59 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.59 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.59 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.59 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
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 SCHEMBL644872 | 0.87 | ADORA2B (0.69) | ADORA2BACHEADORA2APIK3CDPOLB | |
| Caffeine SCHEMBL5088031 | 0.86 | ADORA2B (0.68) | ADORA2BACHEADORA2APIK3CDPOLB | |
| Etofylline SCHEMBL27405019 | 0.85 | LMNA (0.70) | ADORA2BPOLBLMNAGAAALDH1A1 | |
| Caffeine SCHEMBL27670338 | 0.82 | ADORA2B (0.78) | ADORA2BACHEADORA2APIK3CDPOLB | |
| Caffeine SCHEMBL10892640 | 0.80 | ADORA2B (0.86) | ADORA2BACHEADORA2APIK3CDPOLB | |
| Caffeine SCHEMBL20856212 | 0.80 | ADORA2B (0.66) | ADORA2BACHEADORA2APIK3CDPOLB | |
| Caffeine SCHEMBL664929 | 0.79 | ADORA2B (0.64) | ADORA2BACHEADORA2APIK3CDPOLB | |
| Pimefylline SCHEMBL9252493 | 0.79 | LMNA (0.65) | ADORA2BLMNAGAAALDH1A1RXFP1 | |
| Caffeine SCHEMBL28813841 | 0.79 | ADORA2B (0.83) | ADORA2BACHEADORA2APIK3CDPOLB | |
| Caffeine SCHEMBL6659248 | 0.79 | ADORA2B (0.83) | ADORA2BACHEADORA2APIK3CDPOLB |
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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260124148-A1 | POLYPEPTIDE FORMULATIONS FOR ORAL DELIVERY | BHAMIS RES LABORATORY PVT LTD (IN) | 2026-05-07 | — | — | US | claimed |
| US-12533321-B2 | Polypeptide formulations for oral delivery | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2026-01-27 | — | — | US | claimed |
| EP-4601623-A1 | POLYPEPTIDE FORMULATIONS FOR ORAL DELIVERY | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2025-08-20 | — | — | EP | claimed |
| EP-3624846-B1 | HIGH CONCENTRATION PROTEIN FORMULATIONS WITH REDUCED VISCOSITY INCLUDING A COMBINATION OF NICOTINIC ACID AND TRYOPTOPHAN | BHAMIS RES LABORATORY PVT LTD (IN) | 2024-08-07 | — | — | EP | claimed |
| WO-2024079738-A1 | ORAL POLYPEPTIDE FORMULATIONS | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2024-04-18 | — | — | WO | claimed |
| US-20240122860-A1 | POLYPEPTIDE FORMULATIONS FOR ORAL DELIVERY | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2024-04-18 | — | — | US | claimed |
| US-20240122847-A1 | ORAL POLYPEPTIDE FORMULATIONS | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2024-04-18 | — | — | US | claimed |
| WO-2024079739-A1 | POLYPEPTIDE FORMULATIONS FOR ORAL DELIVERY | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2024-04-18 | — | — | WO | claimed |
| US-20240115702-A1 | HIGH CONCENTRATION PROTEIN FORMULATIONS WITH REDUCED VISCOSITY | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2024-04-11 | — | — | US | claimed |
| EP-4323007-A1 | POLYPEPTIDE FORMULATIONS | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2024-02-21 | — | — | EP | claimed |
| WO-2022219646-A1 | POLYPEPTIDE FORMULATIONS | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2022-10-20 | — | — | WO | claimed |
| US-20200254094-A1 | HIGH CONCENTRATION PROTEIN FORMULATIONS WITH REDUCED VISCOSITY | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2020-08-13 | — | — | US | claimed |
| US-10646569-B2 | High concentration protein formulations with reduced viscosity | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2020-05-12 | — | — | US | claimed |
| EP-3624846-A1 | HIGH CONCENTRATION PROTEIN FORMULATIONS WITH REDUCED VISCOSITY | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2020-03-25 | — | — | EP | claimed |
| WO-2018211517-A1 | HIGH CONCENTRATION PROTEIN FORMULATIONS WITH REDUCED VISCOSITY | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2018-11-22 | — | — | WO | claimed |
| US-20180333493-A1 | HIGH CONCENTRATION PROTEIN FORMULATIONS WITH REDUCED VISCOSITY | Bhami's Research Laboratory, Pvt. Ltd. (IN) | 2018-11-22 | — | — | US | claimed |
| EP-1633334-B1 | TOPICAL ADMINISTRATION OF VASOACTIVE VITAMIN B3 COMPOUNDS FOR PROMOTING SLEEP | PROCTER & GAMBLE (US) | 2006-11-15 | — | — | EP | claimed |
| EP-1633334-A2 | A METHOD OF PROMOTING SLEEP USING TOPICAL ADMINISTRATION OF VASOACTIVE AGENTS | THE PROCTER & GAMBLE COMPANY (US) | 2006-03-15 | — | — | EP | claimed |
| WO-2005002554-A2 | A METHOD OF PROMOTING SLEEP USING TOPICAL ADMINISTRATION OF VASOACTIVE AGENTS | THE PROCTER & GAMBLE COMPANY (US) | 2005-01-13 | — | — | WO | claimed |
| US-20040254202-A1 | Method of promoting sleep using topical administration of vasoactive agents | THE PROCTER & GAMBLE COMPANY | 2004-12-16 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 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-10646569-B2 | High concentration protein formulations with reduced viscosity | ALB, TTR, MAX | ADORA2B 3824/4885ADORA2A 2424/4885ADORA3 4031/4885 |
| US-20200254094-A1 | HIGH CONCENTRATION PROTEIN FORMULATIONS WITH REDUCED VISCOSITY | ALB, TTR, MAX | ADORA2B 3824/4885ADORA2A 2424/4885ADORA3 4031/4885 |
| US-12533321-B2 | Polypeptide formulations for oral delivery | PTMS, IAPP, IGF1R | ADORA2B 4755/4885ADORA2A 4763/4885ADORA3 4687/4885 |
| US-20240115702-A1 | HIGH CONCENTRATION PROTEIN FORMULATIONS WITH REDUCED VISCOSITY | ALB, TTR, MAX | ADORA2B 3824/4885ADORA2A 2424/4885ADORA3 4031/4885 |
| US-20180333493-A1 | HIGH CONCENTRATION PROTEIN FORMULATIONS WITH REDUCED VISCOSITY | ALB, TTR, MAX | ADORA2B 3824/4885ADORA2A 2424/4885ADORA3 4031/4885 |
| US-20260124148-A1 | POLYPEPTIDE FORMULATIONS FOR ORAL DELIVERY | GLP1R, TTR, IAPP | ADORA2B 4542/4885ADORA2A 4697/4885ADORA3 3875/4885 |
“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.