Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Pyrophosphoric Acid. 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 | |
|---|---|---|---|---|
| ▸ | TKT | P29401 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | PPP5C | P53041 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 SCHEMBL788235 | 0.79 | LMNA (0.67) | TKTLMNATDP1PPP5CHSP90AA1 | |
| Hydrochloric Acid SCHEMBL459651 | 0.78 | LMNA (0.66) | TKTLMNATDP1PPP5CHSP90AA1 | |
| Hydrochloric Acid SCHEMBL15320267 | 0.78 | LMNA (0.65) | TKTLMNATDP1PPP5CHSP90AA1 | |
| Hydrochloric Acid SCHEMBL1533810 | 0.77 | PPP5C (0.67) | TKTLMNATDP1PPP5CHSP90AA1 | |
| SCHEMBL30249786 | 0.76 | LMNA (0.66) | TKTLMNATDP1PPP5CHSP90AA1 | |
| SCHEMBL2512165 | 0.76 | PPP5C (0.68) | TKTLMNATDP1PPP5CHSP90AA1 | |
| Hydrochloric Acid SCHEMBL5709836 | 0.75 | TDP1 (0.60) | TKTLMNATDP1PPP5CHSP90AA1 | |
| SCHEMBL31477791 | 0.74 | PPP5C (0.70) | TKTLMNATDP1PPP5CHSP90AA1 | |
| Monophosphothiamine SCHEMBL3373896 | 0.74 | TDP1 (0.92) | TKTLMNATDP1PPP5CHSP90AA1 | |
| Hydrochloric Acid SCHEMBL3908684 | 0.73 | PPP5C (0.64) | TKTLMNATDP1PPP5CHSP90AA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2545161-A2 | ENTEROBACTER SP. 638 AND METHODS OF USE THEREOF | Brookhaven Science Associates, LLC (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011112781-A2 | ENTEROBACTER SP. 638 AND METHODS OF USE THEREOF | BROOKHAVEN SCIENCE ASSOCIATES/BROOKHAVEN NATIONAL LABORATORY (US) | 2011-09-15 | — | — | WO | disclosed |