Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 SCHEMBL5173466 | 0.99 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL29445547 | 0.99 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL10074 | 0.99 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL7090274 | 0.99 | HSP90AA1 (0.98) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL9618673 | 0.98 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL10636119 | 0.98 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL7110640 | 0.98 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL10615472 | 0.98 | HSP90AA1 (0.95) | HSP90AA1TKTTDP1KDM4ELMNA | |
| Thiamine Ion SCHEMBL9391504 | 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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180237358-A1 | RADIOISOTOPE 18F SUBSTITUTED THIAMINE, AND SYNTHESIS METHOD AND USE THEREOF | ZHONGSHAN HOSPITAL FUDAN UNIVERSITY (CN) | 2018-08-23 | — | — | US | claimed |
| EP-3339308-A1 | RADIOISOTOPE FLUORINE-18 SUBSTITUTED THIAMINE, SYNTHESIS METHOD THEREFOR, AND APPLICATIONS THEREOF | Zhongshan Hospital Fudan University (CN) | 2018-06-27 | — | — | EP | claimed |
| US-8642089-B2 | Melt extrusion of salts of active ingredients | EVONIK ROEHM GMBH (DE) | 2014-02-04 | — | — | US | claimed |
| EP-1478344-B1 | MELT EXTRUSION CONSISTING OF SALTS OF ACTIVE INGREDIENTS | ROEHM GMBH (DE) | 2007-05-23 | — | — | EP | claimed |
| US-20040253314-A1 | Melt extrusion of salts of active ingredients | ROEHM GMBH (DE) | 2004-12-16 | — | — | US | claimed |
| US-11834425-B2 | Full continuous-flow preparation method of vitamin B1 | FUDAN UNIVERSITY (CN) | 2023-12-05 | — | — | US | disclosed |
| CN-116283952-A | Vitamin B 1 Is a fully continuous flow preparation method | 复旦大学 | 2023-06-23 | — | — | CN | disclosed |
| US-20230183196-A1 | FULL CONTINUOUS-FLOW PREPARATION METHOD OF VITAMIN B1 | FUDAN UNIVERSITY (CN) | 2023-06-15 | — | — | US | disclosed |
| US-11248156-B2 | Borehole fluid with a thiamine-based shale inhibitor | HALLIBURTON ENERGY SERVICES, INC. (US) | 2022-02-15 | — | — | US | disclosed |
| WO-2021066811-A1 | BOREHOLE FLUID WITH A THIAMINE-BASED SHALE INHIBITOR | HALLIBURTON ENERGY SERVICES, INC. (US) | 2021-04-08 | — | — | WO | disclosed |
| US-20210095179-A1 | BOREHOLE FLUID WITH A THIAMINE-BASED SHALE INHIBITOR | HALLIBURTON ENERGY SERVICES, INC. (US) | 2021-04-01 | — | — | US | disclosed |
| US-20180237358-A1 | RADIOISOTOPE 18F SUBSTITUTED THIAMINE, AND SYNTHESIS METHOD AND USE THEREOF | ZHONGSHAN HOSPITAL FUDAN UNIVERSITY (CN) | 2018-08-23 | — | — | US | disclosed |
| EP-3339308-A1 | RADIOISOTOPE FLUORINE-18 SUBSTITUTED THIAMINE, SYNTHESIS METHOD THEREFOR, AND APPLICATIONS THEREOF | Zhongshan Hospital Fudan University (CN) | 2018-06-27 | — | — | EP | disclosed |
| US-8642089-B2 | Melt extrusion of salts of active ingredients | EVONIK ROEHM GMBH (DE) | 2014-02-04 | — | — | US | disclosed |
| US-20040253314-A1 | Melt extrusion of salts of active ingredients | ROEHM GMBH (DE) | 2004-12-16 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230183196-A1 | FULL CONTINUOUS-FLOW PREPARATION METHOD OF VITAMIN B1 | SLC19A2, VKORC1, VKORC1L1 | HSP90AA1 3116/4885TKT 860/4885TDP1 4866/4885 |
| US-20180237358-A1 | RADIOISOTOPE 18F SUBSTITUTED THIAMINE, AND SYNTHESIS METHOD AND USE THEREOF | SLC19A2, SLC35E1, SLC46A1 | HSP90AA1 1905/4885TKT 15/4885TDP1 1471/4885 |
| US-11834425-B2 | Full continuous-flow preparation method of vitamin B1 | SLC19A2, CYP2S1, CBS | HSP90AA1 3137/4885TKT 111/4885TDP1 4551/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.