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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6969767 | 0.79 | CYP2D6 (0.52) | TSHRALOX15SMN1; SMN2CYP2C19CYP2D6 | |
| Hydrochloric Acid SCHEMBL10906874 | 0.78 | EPHX1 (0.41) | TSHRSMN1; SMN2CYP2C19CYP2D6RAB9A | |
| SCHEMBL18776567 | 0.78 | TSHR (0.43) | TSHRALOX15SMN1; SMN2CYP2C19CYP2D6 | |
| SCHEMBL10828218 | 0.77 | TSHR (0.39) | TSHRALOX15SMN1; SMN2CYP2C19CYP2D6 | |
| SCHEMBL12283742 | 0.77 | TSHR (0.39) | TSHRALOX15SMN1; SMN2CYP2C19CYP2D6 | |
| SCHEMBL606444 | 0.76 | — | — | |
| SCHEMBL969919 | 0.76 | — | — | |
| SCHEMBL606445 | 0.76 | — | — | |
| SCHEMBL20718465 | 0.76 | TSHR (0.37) | TSHRALOX15SMN1; SMN2CYP2C19CYP2D6 | |
| SCHEMBL20908170 | 0.76 | TSHR (0.37) | TSHRALOX15SMN1; SMN2CYP2C19CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4204072-A | HYDROLYSIS OF THE PHOSPHONIUM SALT BY A BASE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1980-05-20 | — | — | US | disclosed |
| US-4196302-A | HYDROXYMETHYLPHOSPHONIUM SALT, ALKYL CARBAMATE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1980-04-01 | — | — | US | disclosed |
| US-4171448-A | FIREPROOFING, DURABLE PRESS FINISH | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1979-10-16 | — | — | US | disclosed |