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 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
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 SCHEMBL27814901 | 0.92 | HSP90AA1 (0.85) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL28096498 | 0.90 | HSP90AA1 (0.78) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL465550 | 0.86 | HSP90AA1 (0.71) | HSP90AA1TDP1TKTALDH1A1LMNA | |
| Thiamine Ion SCHEMBL10074 | 0.86 | HSP90AA1 (0.98) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL22217476 | 0.85 | HSP90AA1 (0.83) | HSP90AA1TDP1TKTALDH1A1LMNA | |
| Thiamine Ion SCHEMBL28056402 | 0.85 | HSP90AA1 (0.91) | HSP90AA1TDP1TKTALDH1A1LMNA | |
| Thiamine Ion SCHEMBL1251742 | 0.84 | HSP90AA1 (0.95) | HSP90AA1TDP1TKTALDH1A1LMNA | |
| Thiamine Ion SCHEMBL5317564 | 0.84 | HSP90AA1 (0.95) | HSP90AA1TDP1TKTALDH1A1LMNA | |
| Thiamine Ion SCHEMBL6687656 | 0.84 | HSP90AA1 (0.95) | HSP90AA1TDP1TKTLMNAKDM4E | |
| Thiamine Ion SCHEMBL10636112 | 0.84 | HSP90AA1 (0.95) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9902707-B2 | Detergent compositions | INNOSPEC LIMITED (GB) | 2018-02-27 | — | — | US | claimed |
| EP-3063146-B1 | DETERGENT COMPOSITIONS | INNOSPEC LTD (GB) | 2017-08-16 | — | — | EP | claimed |
| US-20160264561-A1 | DETERGENT COMPOSITIONS | INNOSPEC LIMITED (GB) | 2016-09-15 | — | — | US | claimed |
| EP-3063146-A1 | DETERGENT COMPOSITIONS | Innospec Limited (GB) | 2016-09-07 | — | — | EP | claimed |
| WO-2015063514-A1 | DETERGENT COMPOSITIONS | INNOSPEC LIMITED (GB) | 2015-05-07 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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-20160264561-A1 | DETERGENT COMPOSITIONS | DEGS1, SGMS1, C5 | HSP90AA1 4000/4885TDP1 3077/4885TKT 3021/4885 |
“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.