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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 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 SCHEMBL3948968 | 0.98 | TSHR (0.58) | TSHRLMNAALDH1A1KDM4ECYP1A2 | |
| SCHEMBL22500035 | 0.98 | — | — | |
| SCHEMBL1721050 | 0.95 | — | — | |
| SCHEMBL7545108 | 0.93 | TSHR (0.64) | TSHRLMNAALDH1A1KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL3946525 | 0.93 | — | — | |
| SCHEMBL2128896 | 0.93 | TSHR (0.64) | TSHRLMNAALDH1A1KDM4ECYP1A2 | |
| SCHEMBL3208419 | 0.93 | TSHR (0.64) | TSHRLMNAALDH1A1KDM4ECYP1A2 | |
| SCHEMBL7548607 | 0.93 | TSHR (0.64) | TSHRLMNAALDH1A1KDM4ECYP1A2 | |
| SCHEMBL1235539 | 0.93 | TSHR (0.64) | TSHRLMNAALDH1A1KDM4ECYP1A2 | |
| SCHEMBL7541388 | 0.93 | TSHR (0.64) | TSHRLMNAALDH1A1KDM4ECYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009022182-A1 | DEPSIPEPTIDE DERIVATIVES AND THEIR THERAPEUTIC USE | KARUS THERAPEUTICS LIMITED (GB) | 2009-02-19 | — | — | WO | disclosed |