Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.96 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.63 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.63 |
| ▸ | CDK2 | P24941 | 7/20 | 0.59 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.54 |
| ▸ | CDK1 | P06493 | 6/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.50 |
| ▸ | CCNA1 | P78396 | 6/20 | 0.50 |
| ▸ | MGMT | P16455 | 4/20 | 0.49 |
| ▸ | BRAF | P15056 | 2/20 | 0.49 |
| ▸ | PNP | P00491 | 1/20 | 0.49 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
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 | 0.98 | DPP4 (1.00) | DPP4PDPK1GDACDK2MAP3K5 | |
| 6-Chloroguanine SCHEMBL9183931 | 0.96 | DPP4 (0.96) | DPP4PDPK1GDACDK2MAP3K5 | |
| 6-Chloroguanine SCHEMBL8715991 | 0.96 | DPP4 (0.96) | DPP4PDPK1GDACDK2MAP3K5 | |
| 6-Chloroguanine SCHEMBL9079950 | 0.96 | DPP4 (0.96) | DPP4PDPK1GDACDK2MAP3K5 | |
| 6-Chloroguanine SCHEMBL18985252 | 0.87 | DPP4 (0.78) | DPP4PDPK1GDACDK2MAP3K5 | |
| 6-Chloroguanine SCHEMBL9424255 | 0.85 | DPP4 (0.76) | DPP4PDPK1GDACDK2MAP3K5 | |
| 6-Chloroguanine SCHEMBL17187927 | 0.82 | DPP4 (0.69) | DPP4CDK2CDK1CCNB1CCNA2 | |
| 6-Chloroguanine SCHEMBL9226302 | 0.81 | DPP4 (0.68) | DPP4PDPK1GDACDK2MAP3K5 | |
| 2,6-Diaminopurine SCHEMBL24053 | 0.78 | PDPK1 (1.00) | DPP4PDPK1GDACDK2MAP3K5 | |
| SCHEMBL37384 | 0.78 | DPP4 (0.66) | DPP4PDPK1GDA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109415364-A | 11C-labeled O6-benzylguanine, PET probe capable of visualizing O6-methylguanine methyltransferase activity, and methods for producing same | 国立研究开发法人国立长寿医疗研究中心 | 2019-03-01 | — | — | CN | disclosed |