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 | 0.98 |
| ▸ | TKT | P29401 | 12/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
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 SCHEMBL10074 | 1.00 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL29572584 | 1.00 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL29445547 | 1.00 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL9618673 | 0.99 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL7110640 | 0.99 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL9391504 | 0.99 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL7200449 | 0.99 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL5189557 | 0.99 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL10636119 | 0.99 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL9618672 | 0.99 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024058984-A2 | METHODS AND USES OF MICROBIOME COMPOSITIONS, COMPONENTS, OR METABOLITES FOR TREATING INSULIN-ASSOCIATED DISEASES | MarvelBiome, Inc. (US) | 2024-03-21 | — | — | WO | disclosed |
| EP-3137065-A2 | COMPOSITIONS, METHODS AND USES FOR THE TREATMENT OF DIABETIC NEUROPATHIES | Pharnext (FR) | 2017-03-08 | — | — | EP | disclosed |
| WO-2015165948-A2 | COMPOSITIONS, METHODS AND USES FOR THE TREATMENT OF DIABETIC NEUROPATHIES | PHARNEXT (FR) | 2015-11-05 | — | — | WO | disclosed |
| WO-2003093434-A2 | NANOARCHAEUM NUCLEIC ACID MOLECULE | DIVERSA CORPORATION (US) | 2003-11-13 | — | — | WO | disclosed |
| US-5057412-A | Cleaving pyrimidine rionucleoside diester producing coeneyme for further reaction | LONDON BIOTECHNOLOGY LIMITED (GB) | 1991-10-15 | — | — | US | disclosed |
| US-4745054-A | ENZYME LABELS | LONDON BIOTECHNOLOGY LIMITED (GB) | 1988-05-17 | — | — | US | disclosed |