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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | TKT | P29401 | 10/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
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 SCHEMBL465553 | 0.90 | HSP90AA1 (0.70) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL6274353 | 0.89 | HSP90AA1 (0.68) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL1499694 | 0.89 | HSP90AA1 (0.68) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL219976 | 0.89 | HSP90AA1 (0.87) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL6831590 | 0.88 | HSP90AA1 (0.69) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL5329756 | 0.88 | HSP90AA1 (0.69) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL16829706 | 0.88 | HSP90AA1 (0.85) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL219977 | 0.88 | HSP90AA1 (0.89) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL7786252 | 0.87 | HSP90AA1 (0.68) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL16829707 | 0.87 | HSP90AA1 (0.87) | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8329638-B2 | Antibacterial agent based on fatty acid esters of hydroxy carboxylic acids | PURAC BIOCHEM B.V. (NL) | 2012-12-11 | — | — | US | disclosed |
| US-20110230395-A1 | Antibacterial agent based on fatty acid esters of hydroxy carboxylic acids | PURAC BIOCHEM B.V. (NL) | 2011-09-22 | — | — | US | disclosed |
| EP-2200433-B1 | NEW ANTIBACTERIAL AGENT BASED ON FATTY ACID ESTERS OF HYDROXY CARBOXYLIC ACIDS | PURAC BIOCHEM BV (NL) | 2011-07-20 | — | — | EP | disclosed |
| US-7973006-B2 | Antibacterial agent based on fatty acid esters of hydroxy carboxylic acid acids | PURAC BIOCHEM B.V. (NL) | 2011-07-05 | — | — | US | disclosed |
| EP-2200433-A1 | NEW ANTIBACTERIAL AGENT BASED ON FATTY ACID ESTERS OF HYDROXY CARBOXYLIC ACIDS | PURAC Biochem BV (NL) | 2010-06-30 | — | — | EP | disclosed |
| US-20090082253-A1 | Antibacterial agent based on fatty acid esters of hydroxy carboxylic acid acids | PURAC BIOCHEM B.V. (NL) | 2009-03-26 | — | — | US | disclosed |
| WO-2009037269-A1 | NEW ANTIBACTERIAL AGENT BASED ON FATTY ACID ESTERS OF HYDROXY CARBOXYLIC ACIDS | PURAC BIOCHEM BV (NL) | 2009-03-26 | — | — | WO | disclosed |
| US-20090082443-A1 | Use of fatty acid esters of glycerol combined with polylysine against gram-negative bacteria | PURAC BIOCHEM B.V. (NL) | 2009-03-26 | — | — | 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 (2 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-20110230395-A1 | Antibacterial agent based on fatty acid esters of hydroxy carboxylic acids | FFAR4, LIPA, HDAC7 | HSP90AA1 142/4885TDP1 4738/4885TKT 2652/4885 |
| US-20090082253-A1 | Antibacterial agent based on fatty acid esters of hydroxy carboxylic acid acids | ELOVL5, FFAR4, ELOVL6 | HSP90AA1 289/4885TDP1 4684/4885TKT 2215/4885 |
“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.