Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Thiamine Ion. 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 | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.85 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | TKT | P29401 | 10/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Thiamine Ion SCHEMBL219976 | 0.99 | HSP90AA1 (0.87) | HSP90AA1TDP1KDM4ETKTLMNA | |
| Thiamine Ion SCHEMBL29195374 | 0.99 | HSP90AA1 (0.87) | HSP90AA1TDP1KDM4ETKTLMNA | |
| Thiamine Ion SCHEMBL16829707 | 0.99 | HSP90AA1 (0.87) | HSP90AA1TDP1KDM4ETKTLMNA | |
| Thiamine Ion SCHEMBL27555400 | 0.97 | HSP90AA1 (0.83) | HSP90AA1TDP1KDM4ETKTLMNA | |
| Thiamine Ion SCHEMBL27512143 | 0.97 | HSP90AA1 (0.83) | HSP90AA1TDP1KDM4ETKTLMNA | |
| Thiamine Ion SCHEMBL23151789 | 0.95 | HSP90AA1 (0.80) | HSP90AA1TDP1KDM4ETKTLMNA | |
| Thiamine Ion SCHEMBL23151816 | 0.95 | HSP90AA1 (0.80) | HSP90AA1TDP1KDM4ETKTLMNA | |
| Thiamine Ion SCHEMBL23151793 | 0.95 | HSP90AA1 (0.80) | HSP90AA1TDP1KDM4ETKTLMNA | |
| Thiamine Ion SCHEMBL219978 | 0.95 | HSP90AA1 (0.83) | HSP90AA1TDP1KDM4ETKTLMNA | |
| Thiamine Ion SCHEMBL16829708 | 0.95 | HSP90AA1 (0.83) | HSP90AA1TDP1KDM4ETKTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015095725-A1 | METHODS AND COMPOSITIONS FOR ATTENUATING MUSCLE PROTEIN DEGRADATION AND PRESERVING LEAN BODY MASS | ABBOTT LABORATORIES (US) | 2015-06-25 | — | — | WO | disclosed |