Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Monophosphothiamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.92 |
| ▸ | TKT | P29401 | 7/20 | 0.86 |
| ▸ | LMNA | P02545 | 1/20 | 0.86 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | PPP5C | P53041 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Monophosphothiamine SCHEMBL94443 | 0.97 | TDP1 (0.98) | TDP1TKTLMNAHSP90AA1ALDH1A1 | |
| Monophosphothiamine SCHEMBL29733068 | 0.97 | TDP1 (0.98) | TDP1TKTLMNAHSP90AA1ALDH1A1 | |
| Monophosphothiamine SCHEMBL642271 | 0.96 | TDP1 (0.96) | TDP1TKTLMNAHSP90AA1ALDH1A1 | |
| Monophosphothiamine SCHEMBL17768676 | 0.96 | TDP1 (0.96) | TDP1TKTLMNAHSP90AA1ALDH1A1 | |
| Monophosphothiamine SCHEMBL3681710 | 0.96 | TDP1 (0.96) | TDP1TKTLMNAHSP90AA1ALDH1A1 | |
| Monophosphothiamine SCHEMBL23151818 | 0.96 | TDP1 (0.96) | TDP1TKTLMNAHSP90AA1ALDH1A1 | |
| Monophosphothiamine SCHEMBL399485 | 0.96 | TDP1 (0.96) | TDP1TKTLMNAHSP90AA1ALDH1A1 | |
| Monophosphothiamine SCHEMBL9159014 | 0.96 | TDP1 (0.96) | TDP1TKTLMNAHSP90AA1ALDH1A1 | |
| Monophosphothiamine SCHEMBL29373566 | 0.96 | TDP1 (1.00) | TDP1TKTLMNAHSP90AA1ALDH1A1 | |
| Monophosphothiamine SCHEMBL94444 | 0.96 | TDP1 (1.00) | TDP1TKTLMNAHSP90AA1ALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040006040-A1 | Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor | PYRO PHARMACEUTICALS, INC. | 2004-01-08 | — | — | US | claimed |
| EP-1651780-B1 | THIAMIN PRODUCTION BY FERMENTATION | DSM IP ASSETS BV (NL) | 2010-11-03 | — | — | EP | disclosed |
| US-20060252113-A1 | Methods for identifying compounds that modulate an enzyme in the glucose metabolic pathway of a pathogenic microorganism | SCHECHTER ALAN M | 2006-11-09 | — | — | US | disclosed |
| US-20060252112-A1 | Methods for indentifying compounds that modulate an enzyme involved in biotin metabolism in a pathogenic microorganism | SCHECHTER ALAN M | 2006-11-09 | — | — | US | disclosed |
| US-20060178320-A1 | Methods for indentifying compounds that modulate an enzyme involved in thiamine metabolism in a pathogenic microorganism | SCHECHTER ALAN M | 2006-08-10 | — | — | US | disclosed |
| US-20060178322-A1 | Methods for indentifying compounds that modulate an enzyme involved in riboflavin metabolism in a pathogenic microorganism | SCHECHTER ALAN M | 2006-08-10 | — | — | US | disclosed |
| US-20060178321-A1 | Methods for indentifying compounds that modulate an enzyme involved in reductive carboxylation in a pathogenic microorganism | SCHECHTER ALAN M | 2006-08-10 | — | — | US | disclosed |
| US-20060127993-A1 | Thiamin production by fermentation | DSM IP ASSETS B.V. (NL) | 2006-06-15 | — | — | US | disclosed |
| US-20060094075-A1 | Methods for indentifying compounds that modulate an enzyme in the coenzyme a biosynthetic pathway in a pathogenic microoganism | SCHECHTER ALAN M | 2006-05-04 | — | — | US | disclosed |
| US-20060063224-A1 | Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway | SCHECHTER ALAN M | 2006-03-23 | — | — | US | disclosed |
| US-6955890-B2 | Method for the identification and treatment of pathogenic microorganisms infections by inhibiting one or more enzymes in an essential metabolic pathway | PYRO PHARMACEUTICALS, INC. (US) | 2005-10-18 | — | — | US | disclosed |
| US-20040006040-A1 | Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor | PYRO PHARMACEUTICALS, INC. | 2004-01-08 | — | — | US | disclosed |
| US-20030180830-A1 | Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway | PYRO PHARMACEUTICALS, INC. | 2003-09-25 | — | — | 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 (7 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-20060252113-A1 | Methods for identifying compounds that modulate an enzyme in the glucose metabolic pathway of a pathogenic microorganism | MGAM, G6PD, UGDH | TDP1 3499/4885TKT 33/4885LMNA 3781/4885 |
| US-20060094075-A1 | Methods for indentifying compounds that modulate an enzyme in the coenzyme a biosynthetic pathway in a pathogenic microoganism | COASY, BPGM, ME1 | TDP1 3203/4885TKT 233/4885LMNA 3658/4885 |
| US-20060178320-A1 | Methods for indentifying compounds that modulate an enzyme involved in thiamine metabolism in a pathogenic microorganism | IMPDH1, SLC19A2, IMPDH2 | TDP1 2410/4885TKT 11/4885LMNA 2045/4885 |
| US-20060178322-A1 | Methods for indentifying compounds that modulate an enzyme involved in riboflavin metabolism in a pathogenic microorganism | BLVRB, IMPDH1, IMPDH2 | TDP1 3097/4885TKT 162/4885LMNA 2663/4885 |
| US-20040006040-A1 | Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor | CYP51A1, ME1, BPGM | TDP1 3936/4885TKT 24/4885LMNA 3872/4885 |
| US-20060252112-A1 | Methods for indentifying compounds that modulate an enzyme involved in biotin metabolism in a pathogenic microorganism | BTD, BLVRB, BPGM | TDP1 4162/4885TKT 133/4885LMNA 1995/4885 |
| US-20060178321-A1 | Methods for indentifying compounds that modulate an enzyme involved in reductive carboxylation in a pathogenic microorganism | CYP2E1, POR, BLVRB | TDP1 4211/4885TKT 344/4885LMNA 4306/4885 |
“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.