Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Paraxanthine. 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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 5/20 | 0.49 |
| ▸ | ADORA2B known ✓ | P29275 | 5/20 | 0.49 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.47 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.47 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.47 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.47 |
| ▸ | PDE4A known ✓ | P27815 | 2/20 | 0.41 |
| ▸ | PDE4B known ✓ | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4C known ✓ | Q08493 | 2/20 | 0.41 |
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.96 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.96 |
| ▸ | LMNA | P02545 | 1/20 | 0.96 |
| ▸ | MAPT | P10636 | 1/20 | 0.96 |
| ▸ | TSHR | P16473 | 1/20 | 0.96 |
| ▸ | BLM | P54132 | 1/20 | 0.96 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Paraxanthine SCHEMBL232702 | 0.98 | CYP3A4 (1.00) | CYP3A4PMP22ALDH1A1LMNAMAPT | |
| Paraxanthine SCHEMBL31604159 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22ALDH1A1LMNAMAPT | |
| Paraxanthine SCHEMBL31604157 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22ALDH1A1LMNAMAPT | |
| Paraxanthine SCHEMBL31604158 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22ALDH1A1LMNAMAPT | |
| Paraxanthine SCHEMBL25320927 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22ALDH1A1LMNAMAPT | |
| Paraxanthine SCHEMBL25322121 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22ALDH1A1LMNAMAPT | |
| Paraxanthine SCHEMBL25320267 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22ALDH1A1LMNAMAPT | |
| Paraxanthine SCHEMBL25323417 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22ALDH1A1LMNAMAPT | |
| Paraxanthine SCHEMBL31604160 | 0.96 | CYP3A4 (0.96) | CYP3A4PMP22ALDH1A1LMNAMAPT | |
| Paraxanthine SCHEMBL13384584 | 0.88 | CYP3A4 (0.81) | CYP3A4PMP22ALDH1A1LMNAMAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250281494-A1 | COMPOSITIONS AND METHODS FOR THEIR PRODUCTION | RAREBIRD, INC. (US) | 2025-09-11 | — | — | US | disclosed |
| US-12310971-B2 | Coffee bean compositions comprising paraxanthine and methods for their production | RAREBIRD, INC. (US) | 2025-05-27 | — | — | US | disclosed |
| US-20250108057-A1 | COMPOSITIONS AND METHODS FOR THEIR PRODUCTION | RAREBIRD, INC. (US) | 2025-04-03 | — | — | US | disclosed |
| US-12178820-B2 | Compositions and methods for their production | RAREBIRD, INC. (US) | 2024-12-31 | — | — | US | disclosed |
| US-20240189314-A1 | COMPOSITIONS AND METHODS FOR THEIR PRODUCTION | RAREBIRD, INC. (US) | 2024-06-13 | — | — | US | disclosed |
| EP-4329632-A1 | COMPOSITIONS AND METHODS FOR THEIR PRODUCTION | Rarebird, Inc. (US) | 2024-03-06 | — | — | EP | disclosed |
| US-11872232-B2 | Compositions and methods for their production | RAREBIRD, INC. (US) | 2024-01-16 | — | — | US | disclosed |
| US-20230241070-A1 | COMPOSITIONS AND METHODS FOR THEIR PRODUCTION | REVEL TECHNOLOGIES, INC. (US) | 2023-08-03 | — | — | US | disclosed |
| WO-2022232469-A1 | COMPOSITIONS AND METHODS FOR THEIR PRODUCTION | REVEL TECHNOLOGIES, INC. (US) | 2022-11-03 | — | — | WO | disclosed |