Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TKT | P29401 | 17/20 | 1.00 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1267294 | 0.99 | TKT (0.98) | TKTHSP90AA1 | |
| SCHEMBL4881061 | 0.99 | TKT (1.00) | TKTHSP90AA1 | |
| SCHEMBL13741554 | 0.91 | TKT (1.00) | TKT | |
| SCHEMBL13741545 | 0.86 | TKT (1.00) | TKT | |
| SCHEMBL13741171 | 0.86 | TKT (1.00) | TKTHSP90AA1 | |
| SCHEMBL13741789 | 0.85 | TKT (1.00) | TKTHSP90AA1 | |
| SCHEMBL13741722 | 0.85 | TKT (1.00) | TKT | |
| SCHEMBL13741708 | 0.83 | TKT (1.00) | TKTHSP90AA1 | |
| SCHEMBL13741163 | 0.83 | TKT (1.00) | TKTHSP90AA1 | |
| SCHEMBL13741381 | 0.83 | TKT (1.00) | TKT |
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-7879885-B2 | such as N-(2-Amino-6-methylpyridin-3-ylmethyl)-N-{2-[2-[(2-amino-6-methyl-pyridin-3-ylmethyl)formylamino]-1-(2-hydroxyethyl)-propenyldisulfanyl]-4-hydroxy-1-methylbut-1-enyl}formamide, used for inhibiting cell proliferation and tumor cell growth, stimulating apoptosis in tumor cells and treating cancer | ARRAY BIOPHARMA, INC. (US) | 2011-02-01 | — | — | US | disclosed |
| US-20090209554-A1 | Thiazoliums as transketolase inhibitors | ARRAY BIOPHARMA INC. (US) | 2009-08-20 | — | — | US | disclosed |
| US-20070293501-A1 | Thioalkeneamides as Transketolase Inhibitors | ARRAY BIOPHARMA INC. (US) | 2007-12-20 | — | — | US | disclosed |
| WO-2005095391-A1 | THIAZOLIUMS AS TRANSKETOLASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2005-10-13 | — | — | WO | disclosed |
| WO-2005095344-A1 | THIOALKENEAMIDES AS TRANSKETOLASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2005-10-13 | — | — | WO | 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-20090209554-A1 | Thiazoliums as transketolase inhibitors | TKT, RRM2, TYMS | TKT 1/4885HSP90AA1 3622/4885 |
| US-20070293501-A1 | Thioalkeneamides as Transketolase Inhibitors | TKT, AKR1A1, RRM2 | TKT 1/4885HSP90AA1 3504/4885 |
“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.