Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of 6-Chloroguanine. 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 | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.76 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 8/20 | 0.49 |
| ▸ | CDK1 | P06493 | 7/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 7/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.46 |
| ▸ | CCNA1 | P78396 | 7/20 | 0.46 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.46 |
| ▸ | MGMT | P16455 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 6-Chloroguanine SCHEMBL64059 | 0.87 | DPP4 (1.00) | DPP4PDPK1GDACDK2CDK1 | |
| 2,6-Diaminopurine SCHEMBL9424492 | 0.86 | PDPK1 (0.72) | DPP4PDPK1GDACDK2CDK1 | |
| 6-Chloroguanine SCHEMBL28284949 | 0.85 | DPP4 (0.96) | DPP4PDPK1GDACDK2CDK1 | |
| 6-Chloroguanine SCHEMBL9183931 | 0.85 | DPP4 (0.96) | DPP4PDPK1GDACDK2CDK1 | |
| 6-Chloroguanine SCHEMBL9079950 | 0.85 | DPP4 (0.96) | DPP4PDPK1GDACDK2CDK1 | |
| 6-Chloroguanine SCHEMBL8715991 | 0.85 | DPP4 (0.96) | DPP4PDPK1GDACDK2CDK1 | |
| 6-Chloroguanine SCHEMBL18985252 | 0.83 | DPP4 (0.78) | DPP4PDPK1GDACDK2CDK1 | |
| 2,6-Diaminopurine SCHEMBL4535059 | 0.81 | PDPK1 (0.79) | DPP4PDPK1GDACDK2CDK1 | |
| 2,6-Diaminopurine SCHEMBL3238169 | 0.81 | PDPK1 (0.79) | DPP4PDPK1GDACDK2CDK1 | |
| 2,6-Diaminopurine SCHEMBL30680639 | 0.81 | PDPK1 (0.79) | DPP4PDPK1GDACDK2CDK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5332814-A | Process for the preparation of carbacyclic nucleosides, and intermediates | CIBA-GEIGY CORPORATION (US) | 1994-07-26 | — | — | US | disclosed |
| EP-0542681-A1 | Process for the preparation of carbocyclic nucleosides and its intermediates | CIBA-GEIGY AG (CH) | 1993-05-19 | — | — | EP | disclosed |