Known targets — ChEMBL curated mechanism
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 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | TKT | P29401 | 10/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
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 SCHEMBL219978 | 0.99 | HSP90AA1 (0.83) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL8813131 | 0.99 | HSP90AA1 (0.83) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL16829708 | 0.99 | HSP90AA1 (0.83) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL4604194 | 0.98 | HSP90AA1 (0.85) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL29195374 | 0.95 | HSP90AA1 (0.87) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL16829707 | 0.95 | HSP90AA1 (0.87) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL16829706 | 0.94 | HSP90AA1 (0.85) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL27576184 | 0.94 | HSP90AA1 (0.85) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL219977 | 0.94 | HSP90AA1 (0.89) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL27555400 | 0.93 | HSP90AA1 (0.83) | HSP90AA1TDP1TKTLMNAKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993011245-A9 | FATTY ACID DESATURASE GENES FROM PLANTS | — | 1997-01-30 | — | — | WO | disclosed |
| EP-0616644-A1 | FATTY ACID DESATURASE GENES FROM PLANTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-09-28 | — | — | EP | disclosed |
| WO-1993011245-A1 | FATTY ACID DESATURASE GENES FROM PLANTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-06-10 | — | — | WO | disclosed |