Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Theobromine. 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 | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 3/20 | 0.62 |
| ▸ | PDE4B known ✓ | Q07343 | 3/20 | 0.62 |
| ▸ | PDE4C known ✓ | Q08493 | 3/20 | 0.62 |
| ▸ | PDE4D known ✓ | Q08499 | 3/20 | 0.62 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.51 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.51 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.96 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.96 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.96 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
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 SCHEMBL11599459 | 0.98 | CYP3A4 (1.00) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL1690622 | 0.98 | CYP3A4 (1.00) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL3184 | 0.98 | CYP3A4 (1.00) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL29658415 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL1291169 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL6062232 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL4021232 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL7926330 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL28252424 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22MAPK1ADORA2APDE4A | |
| Theobromine SCHEMBL16093810 | 0.95 | 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
Claimed or disclosed in 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12624216-B2 | Method for the production of free-flowing granules | OMYA INTERNATIONAL AG (CH) | 2026-05-12 | — | — | US | disclosed |
| EP-4142675-B1 | GRANULES COMPRISING SURFACE-REACTED CALCIUM CARBONATE AS EXCIPIENT | OMYA INT AG (CH) | 2026-03-25 | — | — | EP | disclosed |
| EP-4143136-B1 | METHOD FOR THE PRODUCTION OF FREE-FLOWING GRANULES | OMYA INT AG (CH) | 2025-09-10 | — | — | EP | disclosed |
| US-12115258-B2 | High performance excipient comprising co-processed microcrystalline cellulose and surface-reacted calcium carbonate | OMYA INTERNATIONAL AG (CH) | 2024-10-15 | — | — | US | disclosed |
| US-20240327232-A1 | METHOD FOR THE PRODUCTION OF GRANULES COMPRISING A MAGNESIUM ION-COMPRISING MATERIAL | OMYA INTERNATIONAL AG (CH) | 2024-10-03 | — | — | US | disclosed |
| EP-4396133-A1 | METHOD FOR THE PRODUCTION OF GRANULES COMPRISING A MAGNESIUM ION-COMPRISING MATERIAL | Omya International AG (CH) | 2024-07-10 | — | — | EP | disclosed |
| EP-3484451-B1 | DOSAGE FORM | OMYA INT AG (CH) | 2024-04-03 | — | — | EP | disclosed |
| US-11737984-B2 | Dosage form | OMYA INTERNATIONAL AG (CH) | 2023-08-29 | — | — | US | disclosed |
| US-20230181468-A1 | GRANULES COMPRISING SURFACE-REACTED CALCIUM CARBONATE AS EXCIPIENT | OMYA INTERNATIONAL AG (CH) | 2023-06-15 | — | — | US | disclosed |
| US-20230174786-A1 | METHOD FOR THE PRODUCTION OF FREE-FLOWING GRANULES | OMYA INTERNATIONAL AG (CH) | 2023-06-08 | — | — | US | disclosed |
| WO-2009143845-A2 | FLAVOR IMPREGNATION OF A CHEWING GUM CORE | FERTIN PHARMA A/S (DK) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009080022-A1 | COMPRESSED CHEWING GUM TABLET | FERTIN PHARMA A/S (DK) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009080020-A1 | CHEWING GUM TABLET AND METHOD OF DOSING PHARMACEUTICALLY ACTIVE INGREDIENTS IN SUCH CHEWING GUM TABLET | FERTIN PHARMA A/S (DK) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009080021-A1 | COMPRESSED CHEWING GUM TABLET | FERTIN PHARMA A/S (DK) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009007770-A1 | CHEWING GUM GRANULES FOR COMPRESSED CHEWING GUM | GUMLINK A/S (DK) | 2009-01-15 | — | — | WO | disclosed |
| WO-2009007768-A1 | COMPRESSED TABLET COMPRISING POLYOL | GUMLINK A/S (DK) | 2009-01-15 | — | — | WO | disclosed |
| WO-2009007769-A1 | MULTI-MODULAR CHEWING GUM TABLET | GUMLINK A/S (DK) | 2009-01-15 | — | — | WO | disclosed |
| WO-2009007767-A1 | COMPRESSED CHEWING GUM COMPRISING AN ENCAPSULATION DELIVERY SYSTEM COMPRISING NATURAL RESIN | GUMLINK A/S (DK) | 2009-01-15 | — | — | WO | disclosed |
| WO-2009007771-A1 | HIGH VOLUME COMPRESSED CHEWING GUM TABLET | GUMLINK A/S (DK) | 2009-01-15 | — | — | WO | disclosed |
| WO-2008145120-A1 | ENVIRONMENTAL CHEWING GUM | GUMLINK A/S (DK) | 2008-12-04 | — | — | WO | 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-12624216-B2 | Method for the production of free-flowing granules | TMCO1, ORAI1, CACNA1G | PDE4A 3996/4885PDE4B 4592/4885PDE4C 3468/4885 |
“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.