Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of 2,6-Diaminopurine. 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 | |
|---|---|---|---|---|
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | CHUK | O15111 | 1/20 | 0.31 |
| ▸ | PNP | P00491 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | MGMT | P16455 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| 2,6-Diaminopurine SCHEMBL24052 | 0.89 | GDA (0.48) | GDAPDPK1ADORA2ADPP4CDK2 | |
| 2,6-Diaminopurine SCHEMBL29444619 | 0.89 | GDA (0.48) | GDAPDPK1ADORA2ADPP4CDK2 | |
| 2,6-Diaminopurine SCHEMBL8757968 | 0.87 | GDA (0.47) | GDAPDPK1ADORA2ADPP4CDK2 | |
| 2,6-Diaminopurine SCHEMBL6423146 | 0.87 | GDA (0.47) | GDAPDPK1ADORA2ADPP4CDK2 | |
| 2,6-Diaminopurine SCHEMBL1074475 | 0.86 | GDA (0.41) | GDAPDPK1ADORA2ADPP4CDK2 | |
| 2,6-Diaminopurine SCHEMBL1033680 | 0.84 | GDA (0.42) | GDAPDPK1ADORA2ADPP4CDK2 | |
| 2,6-Diaminopurine SCHEMBL5017251 | 0.81 | PDPK1 (0.42) | GDAPDPK1ADORA2ACDK2MGMT | |
| Adenine SCHEMBL40370 | 0.79 | PI4KA (0.40) | GDACA1CA2CYP1A2CYP2C19 | |
| Adenine SCHEMBL27690901 | 0.79 | PI4KA (0.40) | GDACA1CA2CYP1A2CYP2C19 | |
| 2,6-Diaminopurine SCHEMBL1825527 | 0.78 | ALDH1A1 (0.50) | GDAPDPK1HSD17B10PNPALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6436947-B1 | TO PREVENT ALLOGRAFT REJECTION; AUTOIMMUNE DISEASES DUE TO ACTION OF T-CELLS AS INSULIN-DEPENDENT DIABETES, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS; SUPPRESSION OF HUMORAL IMMUNE RESPONSE IN TREATMENT OF MYESTHENIAGRAVIS, LUPUS ERYTHEMATOSUS | AVENTIS PHARMACEUTICALS INC. | 2002-08-20 | — | — | US | disclosed |
| EP-0545413-B1 | Trans cyclopentanyl purine analogs useful as immunosuppressants | AVENTIS PHARMA INC (US) | 2000-07-12 | — | — | EP | disclosed |
| US-5929079-A | TREATMENT OF MYESTHENIAGRAVIS, MULTIPLE SCLEROSIS, SYSTEMIC LUPUS ERYTHEMATOSUS | HOECHST MARION ROUSSEL, INC. (US) | 1999-07-27 | — | — | US | disclosed |
| US-5916892-A | ADMINISTERING TO THE PATIENT SUFFERING OF ALLOGRAFT REJECTION, AUTOIMMUNE DISEASE, INSULIN-DEPENDENT DIABETIC MELLITUS, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS, MYESTHENIA GRAVIS, LUPUS ERYTHEMATOSUS AND SEPTIC SHOCK SYNDROME | HOECHST MARION ROUSSEL, INC. (US) | 1999-06-29 | — | — | US | disclosed |
| US-5905085-A | ANTIGENS AND IMMUNOSUPPRESSANTS | HOECHST MARION ROUSSEL, INC. (US) | 1999-05-18 | — | — | US | disclosed |
| US-5817660-A | TRIAZOLOPYRIMIDINES | HOECHST MARION ROUSSEL, INC. (US) | 1998-10-06 | — | — | US | disclosed |
| US-5817661-A | Trans cyclopentanyl purine analogs useful as immunosuppressants | HOECHST MARION ROUSSEL, INC. (US) | 1998-10-06 | — | — | US | disclosed |
| US-5817672-A | IMIDAZOPYRIDINES | HOECHST MARION ROUSSEL, INC. (US) | 1998-10-06 | — | — | US | disclosed |
| US-5723466-A | AUTOIMMUNE DISEASES, ANTIARTHRITIC AGENTS AND IMMUNOSUPPRESSANTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-03-03 | — | — | US | disclosed |
| EP-0545413-A1 | Novel trans cyclopentanyl purine analogs useful as immunosuppressants | HOECHST MARION ROUSSEL, INC. (US) | 1993-06-09 | — | — | EP | disclosed |
| US-4210745-A | Procedure for the preparation of 9-β-D-arabinofuranosyl-2-fluoroadenine | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) | 1980-07-01 | — | — | US | disclosed |
| US-3992531-A | 2-Substituted adenosine-5'-carboxylates in the treatment of anginal pain | ABBOTT LABORATORIES (US) | 1976-11-16 | — | — | US | disclosed |