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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3963262 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL5565999 | 0.75 | KDR (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5564793 | 0.73 | KDR (0.40) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Iodide SCHEMBL5565778 | 0.72 | KDR (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL6130295 | 0.72 | TUBB4A (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Bromide SCHEMBL6130243 | 0.69 | TUBB4A (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Iodide SCHEMBL6130228 | 0.69 | TUBB4A (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7555415 | 0.68 | HPGD (0.54) | ALDH1A1MEN1CYP3A4GAAKMT2A | |
| SCHEMBL8350047 | 0.67 | TP53 (0.52) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6653675 | 0.67 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1333794-A4 | NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING | P & G CLAIROL INC (US) | 2005-08-10 | — | — | EP | disclosed |
| EP-1333794-A1 | NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING | P & G-Clairol, Inc. (US) | 2003-08-13 | — | — | EP | disclosed |
| WO-2002039969-A1 | NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING | P&G-CLAIROL, INC. (US) | 2002-05-23 | — | — | WO | disclosed |