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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11122555 | 0.95 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Bromide SCHEMBL7877244 | 0.95 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Water SCHEMBL4389571 | 0.95 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL7877233 | 0.90 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL819648 | 0.86 | ALDH1A1 (0.40) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Phenol SCHEMBL7877192 | 0.84 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL7873049 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL4389367 | 0.83 | ALDH1A1 (0.37) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Water SCHEMBL4387932 | 0.81 | ALDH1A1 (0.40) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Bromide SCHEMBL7491898 | 0.81 | ALDH1A1 (0.40) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |