Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.95 |
| ▸ | TKT | P29401 | 12/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
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 SCHEMBL29572584 | 0.99 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL7090274 | 0.99 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL27598902 | 0.99 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL10074 | 0.99 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL29445547 | 0.99 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL7110640 | 0.98 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL10615472 | 0.98 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL5189557 | 0.98 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL5173459 | 0.98 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL10636119 | 0.98 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| JP-4368329-A | — | — | None | — | — | JP | disclosed |
| JP-H04368329-A | PHARMACEUTICAL PREPARATION CONTAINING THIAMINE COBALT CHLOROPHYLLINE COMPLEX COMPOUND | GREEN CROSS CORP:THE | 1992-12-21 | — | — | JP | disclosed |