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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MVD | P53602 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 14/20 | 0.35 |
| ▸ | CA2 | P00918 | 14/20 | 0.35 |
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 SCHEMBL28200258 | 1.00 | MVD (0.40) | MVDNOS3NOS1NOS2CA1 | |
| Creatine SCHEMBL28008273 | 1.00 | MVD (0.40) | MVDNOS3NOS1NOS2CA1 | |
| Creatine SCHEMBL28465232 | 1.00 | MVD (0.40) | MVDNOS3NOS1NOS2CA1 | |
| Creatine SCHEMBL28001981 | 0.98 | MVD (0.41) | MVDNOS3NOS1NOS2CA1 | |
| Creatine SCHEMBL29050789 | 0.98 | MVD (0.41) | MVDNOS3NOS1NOS2CA1 | |
| Creatine SCHEMBL27848700 | 0.98 | MVD (0.41) | MVDNOS3NOS1NOS2CA1 | |
| Creatine SCHEMBL28426099 | 0.98 | MVD (0.41) | MVDNOS3NOS1NOS2CA1 | |
| Creatine SCHEMBL11581067 | 0.98 | MVD (0.41) | MVDNOS3NOS1NOS2CA1 | |
| Creatine SCHEMBL21632997 | 0.98 | MVD (0.41) | MVDNOS3NOS1NOS2CA1 | |
| Creatine SCHEMBL27189 | 0.96 | MVD (0.42) | MVDNOS3NOS1NOS2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100488968-C | Medicinal disodium creatine phosphate hexahydrate and preparing method thereof | SHANGHAI HUATUO MEDICAL SCIENC (CN) | 2009-05-20 | — | — | CN | disclosed |
| CN-101033237-A | Medicinal disodium creatine phosphate hexahydrate and preparing method thereof | SHANGHAI HUATUO MEDICAL SCIENC (CN) | 2007-09-12 | — | — | CN | disclosed |