Aspirin

Aspirin

SCHEMBL26229

CC(=O)Oc1ccccc1C(=O)O.[CaH2]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Aspirin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.96
PTGS2 known ✓ P35354 1/20 0.96
KDM4E B2RXH2 11/20 0.96
HSD17B10 Q99714 9/20 0.96
ALDH1A1 P00352 8/20 0.96
HPGD P15428 7/20 0.96
ESR1 P03372 1/20 0.96
ITGB3 P05106 1/20 0.96
ITGA2B P08514 1/20 0.96
HMGB1 P09429 1/20 0.96
TSHR P16473 1/20 0.96
GGT1 P19440 1/20 0.96
BLM P54132 1/20 0.96
NAPRT Q6XQN6 1/20 0.96
TDP1 Q9NUW8 1/20 0.96
LMNA P02545 1/20 0.83
CYP1A2 P05177 1/20 0.83
CYP2C9 P11712 1/20 0.83
MAPK1 P28482 1/20 0.68
MAPT P10636 1/20 0.61

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
Aspirin SCHEMBL11759331 0.98 KDM4E (0.92) KDM4EHSD17B10ALDH1A1HPGDESR1
Aspirin SCHEMBL11598009 0.98 KDM4E (0.92) KDM4EHSD17B10ALDH1A1HPGDESR1
Aspirin SCHEMBL1331740 0.98 KDM4E (1.00) KDM4EHSD17B10ALDH1A1HPGDESR1
Aspirin SCHEMBL10456693 0.98 KDM4E (1.00) KDM4EHSD17B10ALDH1A1HPGDESR1
Aspirin SCHEMBL1353 0.98 KDM4E (1.00) KDM4EHSD17B10ALDH1A1HPGDESR1
Aspirin SCHEMBL29350479 0.98 KDM4E (1.00) KDM4EHSD17B10ALDH1A1HPGDESR1
Aspirin SCHEMBL7580 0.98 KDM4E (1.00) KDM4EHSD17B10ALDH1A1HPGDESR1
Aspirin SCHEMBL21328429 0.96 KDM4E (0.96) KDM4EHSD17B10ALDH1A1HPGDESR1
Aspirin SCHEMBL20484785 0.96 KDM4E (0.96) KDM4EHSD17B10ALDH1A1HPGDESR1
Aspirin SCHEMBL21722099 0.96 KDM4E (0.96) KDM4EHSD17B10ALDH1A1HPGDESR1

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 2009 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3457848-B1 AGROCHEMICAL COMBINATION CROP INTELLECT LTD (GB) 2024-08-07 EP claimed
US-20240041935-A1 PREVENTION AND TREATMENT OF REPRODUCTIVE FAILURE BY REGENERATIVE CELLS AND ADJUVANTS CREATIVE MEDICAL TECHNOLOGIES, INC. (US) 2024-02-08 US claimed
US-20220211621-A1 LIPOSOMAL SUSTAINED-RELEASE COMPOSITIONS CONTAINING A THERAPEUTIC DRUG AND USE THEREOF TLC BIOPHARMACEUTICALS, INC. 2022-07-07 US claimed
EP-4000602-A1 NOVEL ZN(II)-NSAID-COMPLEX COMPOSITION concrete flowers GmbH (AT) 2022-05-25 EP claimed
CN-112979503-A Preparation method of carbasalate calcium 河北冀衡药业股份有限公司 2021-06-18 CN claimed
CN-108329205-B Preparation method of bis (2-acetoxybenzoic acid) calcium urea compound 山东新华制药股份有限公司 2021-04-02 CN claimed
US-10912295-B2 Agrochemical combination CROP INTELLECT LTD. (GB) 2021-02-09 US claimed
WO-2020220000-A1 LIPOSOMAL SUSTAINED-RELEASE COMPOSITIONS CONTAINING A THERAPEUTIC DRUG AND USE THEREOF TLC BIOPHARMACEUTICALS, INC. (US) 2020-10-29 WO claimed
CN-111285763-A Method for recovering and preparing salicylic acid from waste solids in production of bis (2-acetoxybenzoic acid) calcium urea 山东新华制药股份有限公司 2020-06-16 CN claimed
CN-110590542-A Method for recovering and preparing salicylic acid from waste solids generated by carbasalate calcium centrifugal mother liquor 山东新华制药股份有限公司 2019-12-20 CN claimed
WO-1998020864-A2 USE OF SELECTED NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS FOR THE PREVENTION AND THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITA' DEGLI STUDI DI BRESCIA - DIPARTIMENTO DI SCIENZE BIOMEDICHE (IT) 1998-05-22 WO claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
US-5543417-A 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent MERCK & CO., INC. (US) 1996-08-06 US claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
EP-0024690-B1 ANALGESIC MIXTURE OF NALBUPHINE AND ACETYLSALICYLIC ACID, DERIVATIVE OR SALT THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP claimed
US-4282215-A Analgesic mixture of nalbuphine and acetylsalicylic acid, derivative or salt thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-08-04 US claimed
EP-0024690-A1 Analgesic mixture of nalbuphine and acetylsalicylic acid, derivative or salt thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-11 EP claimed
US-4117603-A High vacuum freeze-drying SMITH WALTON J 1978-10-03 US claimed