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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28739842 | 0.98 | ALDH1A1 (0.69) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL11234785 | 0.98 | TSHR (0.69) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL30596299 | 0.96 | TSHR (0.71) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29484169 | 0.96 | TSHR (0.71) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| Bromide SCHEMBL163452 | 0.96 | ALDH1A1 (0.71) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| Water SCHEMBL8532229 | 0.96 | ALDH1A1 (0.71) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| Iodide SCHEMBL11518520 | 0.96 | ALDH1A1 (0.71) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| Bromide SCHEMBL3437057 | 0.94 | TSHR (0.69) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| Bromide SCHEMBL2854923 | 0.94 | TSHR (0.69) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 | |
| Bromide SCHEMBL5573865 | 0.94 | TSHR (0.69) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C19 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0648743-A1 | PROCESS FOR PRODUCING PYRROLIDINE DERIVATIVE AND SALT THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-04-19 | — | — | EP | disclosed |
| EP-0337714-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1989-10-18 | — | — | EP | disclosed |
| EP-0126005-B1 | 7-OXABICYCLOHEPTANE PROSTAGLANDIN INTERMEDIATES AND METHOD FOR PREPARING SAME | E.R. Squibb & Sons, Inc. (US) | 1987-09-23 | — | — | EP | disclosed |
| EP-0150015-B1 | NORBORNANE AND NORBORNENE CARBOXYLIC ACID AMIDES AND PROCESS FOR THEIR PREPARATION | BAYER AG (DE) | 1987-06-16 | — | — | EP | disclosed |
| US-4622339-A | ANTICOAGULANTS, ANTIISCHEMIC, ANTIATHEROSCLEROTICS | BAYER AKTIENGESELLSCHAFT (DE) | 1986-11-11 | — | — | US | disclosed |
| EP-0150015-A2 | Norbornane and norbornene carboxylic acid amides and process for their preparation | BAYER AG (DE) | 1985-07-31 | — | — | EP | disclosed |
| US-4500723-A | 7-Oxabicycloheptaine prostaglandin intermediates and method for preparing same | E. R. SQUIBB & SONS, INC. (US) | 1985-02-19 | — | — | US | disclosed |
| US-4499292-A | 7-Oxabicycloheptane prostaglandin intermediates and method for preparing same | E. R. SQUIBB & SONS, INC. (US) | 1985-02-12 | — | — | US | disclosed |
| EP-0126005-A1 | 7-Oxabicycloheptane prostaglandin intermediates and method for preparing same | E.R. Squibb & Sons, Inc. (US) | 1984-11-21 | — | — | EP | disclosed |
| EP-0002215-A1 | Bicycloalkenyl-prostaglandines, their preparation and their application as therapeutics | BAYER AG (DE) | 1979-06-13 | — | — | EP | disclosed |