Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | PMP22 | Q01453 | 2/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 2/20 | 1.00 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.64 |
| ▸ | PDE4A | P27815 | 3/20 | 0.64 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.64 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.53 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Theobromine SCHEMBL1690622 | 1.00 | CYP3A4 (1.00) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL11599459 | 1.00 | CYP3A4 (1.00) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL28252424 | 0.98 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL606388 | 0.98 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL6062232 | 0.98 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL29658415 | 0.98 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL7926330 | 0.98 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL1291169 | 0.98 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL4021232 | 0.98 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL16093810 | 0.96 | CYP3A4 (0.93) | CYP3A4PMP22MAPK1ADORA2APDE4A |
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
Appears in 60245 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4223352-B1 | DRUG-COATED BALLOON CATHETERS FOR BODY LUMENS | UROTRONIC INC (US) | 2026-05-27 | — | — | EP | claimed |
| EP-4747627-A1 | METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS | Matterworks Inc (US) | 2026-05-27 | — | — | EP | claimed |
| US-20260138935-A1 | System and method for the production of chemical compounds and nutrient optimized fertilizer from animal waste products | Nalari Scientific, LLC (US) | 2026-05-21 | — | — | US | claimed |
| EP-4136079-B1 | BENZIMIDAZOLE COMPOUND FOR THE TREATMENT OF METABOLIC DISORDERS | ACHE LABORATORIOS FARMACEUTICOS SA (BR) | 2026-05-20 | — | — | EP | claimed |
| CN-119592135-B | Perovskite ink composition, perovskite ink and preparation method thereof, perovskite film and preparation method and application thereof | 中国石油天然气集团有限公司 | 2026-05-15 | — | — | CN | claimed |
| WO-2026100654-A1 | NUCLEIC ACID INTRODUCTION AID, NUCLEIC ACID INTRODUCTION AGENT, AND NUCLEIC ACID INTRODUCTION METHOD | 株式会社インファーマシア | 2026-05-15 | — | — | WO | claimed |
| US-20260130960-A1 | SYNERGISTIC HERBAL COMPOSITION WITH NOOTROPIC ACTIVITY FOR IMPROVING COGNITIVE FUNCTION AND GAMING PERFORMANCE | LAILA NUTRA PRIVATE LTD (IN) | 2026-05-14 | — | — | US | claimed |
| EP-4604746-B1 | ORAL PRODUCT COMPRISING THEOBROMINE | CONTRAF NICOTEX TOBACCO GMBH (DE) | 2026-05-13 | — | — | EP | claimed |
| US-20260123649-A1 | COMPOSITIONS AND METHODS FOR NUTRACEUTICAL GUMMY | NOON WORLD INC (US) | 2026-05-07 | — | — | US | claimed |
| US-12616727-B2 | Compositions, systems, and methods for improving health | UNICITY PROPERTIES, INC. (SG) | 2026-05-05 | — | — | US | claimed |
| US-4390532-A | MUCOPOLYSACCHARIDES, SHIN DISORDERS | DR. CARL HAHN, G.M.B.H. (DE) | 1983-06-28 | — | — | US | claimed |
| US-4390698-A | USING AN ABSORBENT | SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) | 1983-06-28 | — | — | US | claimed |
| EP-0074909-A1 | Compositions on the basis of 5-hydroxy-tryptophane, manufacturing process and medicaments containing them | S.A. PANMEDICA Société dite: (FR) | 1983-03-23 | — | — | EP | claimed |
| EP-0070437-A1 | Process for the elimination of stimulant compounds from cocoa | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1983-01-26 | — | — | EP | claimed |
| US-4288433-A | THIOETHER AND A XANTHINE DERIVATIVE | L'OREAL (FR) | 1981-09-08 | — | — | US | claimed |
| US-4070487-A | Method of stimulating appetite in ruminants and ruminant feed containing appetite stimulant | HERSHEY FOODS CORPORATION (US) | 1978-01-24 | — | — | US | claimed |
| US-4042442-A | CAFFEINE AND THEOBROMINE AS POLYMERIZATION INITIATORS | EASTMAN KODAK COMPANY (US) | 1977-08-16 | — | — | US | claimed |
| US-4028184-A | CULTURING CORYNEBACTERIUM, ARTHROBACTER, MICROBACTERIUM | KIKKOMAN SHOYU CO., LTD. (JA) | 1977-06-07 | — | — | US | claimed |
| US-4006261-A | Flavoring with mixtures of theobromine and cyclic dipeptides | FIRMENICH S.A. (CH) | 1977-02-01 | — | — | US | claimed |
| US-3954663-A | EXTRACTION, XANTHINE DERIVATIVES | TEIKOKU HORININE MFG. CO. LTD. (JA) | 1976-05-04 | — | — | US | claimed |