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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 2/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1955051 | 0.81 | MEN1 (0.41) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL516449 | 0.76 | CYP3A4 (0.48) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| SCHEMBL8915134 | 0.72 | — | — | |
| SCHEMBL4252733 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28760803 | 0.71 | ALDH1A1 (0.36) | CYP3A4SLC5A7LMNAALDH1A1APEX1 | |
| SCHEMBL741281 | 0.70 | — | — | |
| Choline SCHEMBL28975656 | 0.68 | CYP3A4 (0.68) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL28098606 | 0.67 | CYP3A4 (0.93) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL28115742 | 0.67 | CYP3A4 (0.77) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL3775409 | 0.67 | CYP3A4 (0.65) | CYP3A4SLC5A7LMNAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101808615-B | Mixtures comprising benzotriazoles and merocyanines | BASF SE | 2013-05-15 | — | — | CN | disclosed |
| CN-101808615-A | mixtures comprising benzotriazoles and merocyanines | BASF SE | 2010-08-18 | — | — | CN | disclosed |
| US-20080148491-A1 | Fabric Treatment For Stain Release | VAN BUSKIRK, GREGORY | 2008-06-26 | — | — | US | disclosed |