Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Creatine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 17/20 | 0.38 |
| ▸ | CA2 | P00918 | 17/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Creatine SCHEMBL1065566 | 0.96 | NOS3 (0.39) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL3807770 | 0.92 | CA1 (0.41) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL939498 | 0.91 | CA1 (0.37) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL7858043 | 0.88 | CA1 (0.41) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL5569335 | 0.88 | CA1 (0.41) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL3816605 | 0.88 | CA1 (0.41) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL6673726 | 0.88 | CA1 (0.41) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL4269044 | 0.88 | CA1 (0.41) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL675800 | 0.88 | CA1 (0.41) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL4885845 | 0.88 | CA1 (0.41) | NOS3NOS1NOS2CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105861599-B | A kind of synthetic method and application of CpG ODNs | 李军涛 | 2019-08-09 | — | — | CN | claimed |
| CN-105861599-A | Synthesis method and application of CpG ODNs | 李军涛 | 2016-08-17 | — | — | CN | claimed |
| CN-105861599-B | A kind of synthetic method and application of CpG ODNs | 李军涛 | 2019-08-09 | — | — | CN | disclosed |
| CN-105861599-A | Synthesis method and application of CpG ODNs | 李军涛 | 2016-08-17 | — | — | CN | disclosed |
| EP-0554064-A1 | Vaccine against schistosomiasis | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 1993-08-04 | — | — | EP | disclosed |