Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 2/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL316820 | 0.98 | CA4 (0.41) | CA1CA4CA5ACA5BOR51E2 | |
| SCHEMBL5467168 | 0.96 | CA1 (0.39) | CA1CA4CA5ACA5BOR51E2 | |
| Lithium Ion SCHEMBL23387433 | 0.96 | CA1 (0.39) | CA1CA4CA5ACA5BOR51E2 | |
| SCHEMBL1832597 | 0.79 | OR51E2 (0.42) | OR51E2 | |
| SCHEMBL121274 | 0.79 | OR51E2 (0.42) | OR51E2 | |
| SCHEMBL29273470 | 0.78 | CA1 (0.39) | CA1CA4CA5ACA5B | |
| SCHEMBL17513026 | 0.77 | OR51E2 (0.40) | OR51E2 | |
| SCHEMBL5579171 | 0.77 | OR51E2 (0.40) | CA4OR51E2 | |
| SCHEMBL6852791 | 0.76 | OR51E2 (0.39) | OR51E2 | |
| SCHEMBL29666492 | 0.72 | PGK1 (0.36) | OR51E2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2042170-A1 | Creatine composition and use | Golini, Jeffrey M. (US) | 2009-04-01 | — | — | EP | claimed |
| EP-1520580-A1 | Creatine composition and use | Golini, Jeffrey M. (US) | 2005-04-06 | — | — | EP | claimed |
| US-5002780-A | Dietary supplement | CAOLA KOZMETIKAI ES HAZTARTASVEGYIPARI VALLALAT (HU) | 1991-03-26 | — | — | US | claimed |
| EP-2042170-A1 | Creatine composition and use | Golini, Jeffrey M. (US) | 2009-04-01 | — | — | EP | disclosed |
| EP-1520580-A1 | Creatine composition and use | Golini, Jeffrey M. (US) | 2005-04-06 | — | — | EP | disclosed |