Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 12/20 | 0.35 |
| ▸ | CA2 | P00918 | 12/20 | 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 SCHEMBL31156412 | 0.90 | NOS3 (0.44) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL4137956 | 0.89 | NOS3 (0.41) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL4281967 | 0.87 | NOS3 (0.40) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL1883324 | 0.87 | NOS3 (0.46) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL30063981 | 0.86 | — | — | |
| Creatine SCHEMBL27979093 | 0.86 | NOS3 (0.46) | NOS3NOS1NOS2TDP1CA1 | |
| Creatine SCHEMBL4007614 | 0.86 | NOS3 (0.46) | NOS3NOS1NOS2TDP1CA1 | |
| Creatine SCHEMBL21567 | 0.86 | — | — | |
| Cadaverine Tartrate SCHEMBL1286961 | 0.85 | NOS3 (0.47) | NOS3NOS1NOS2CA1CA2 | |
| Creatine SCHEMBL5345184 | 0.84 | NOS3 (0.42) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5773473-A | Creatine supplement | GREEN JEROLD L (US) | 1998-06-30 | — | — | US | disclosed |