Paraxanthine

Paraxanthine

SCHEMBL25320267

Cn1c(=O)[nH]c2ncn(C)c2c1=O.[KH]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ ADORA2A P29274 5/20 0.49
▸ ADORA2B P29275 4/20 0.49
▸ PIK3CD O00329 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ MC3R P41968 1/20 0.47
▸ NOTUM Q6P988 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.

Compoundsimilaritytop predictedshared targets
Paraxanthine SCHEMBL232702 0.98 CYP3A4 (1.00) CYP3A4PMP22ALDH1A1LMNAMAPT
Paraxanthine SCHEMBL31604158 0.96 CYP3A4 (0.96) CYP3A4PMP22ALDH1A1LMNAMAPT
Paraxanthine SCHEMBL31604157 0.96 CYP3A4 (0.96) CYP3A4PMP22ALDH1A1LMNAMAPT
Paraxanthine SCHEMBL31604160 0.96 CYP3A4 (0.96) CYP3A4PMP22ALDH1A1LMNAMAPT
Paraxanthine SCHEMBL25323417 0.96 CYP3A4 (0.96) CYP3A4PMP22ALDH1A1LMNAMAPT
Paraxanthine SCHEMBL25323945 0.96 CYP3A4 (0.96) CYP3A4PMP22ALDH1A1LMNAMAPT
Paraxanthine SCHEMBL25320927 0.96 CYP3A4 (0.96) CYP3A4PMP22ALDH1A1LMNAMAPT
Paraxanthine SCHEMBL25322121 0.96 CYP3A4 (0.96) CYP3A4PMP22ALDH1A1LMNAMAPT
Paraxanthine SCHEMBL31604159 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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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