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 | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.95 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.95 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.95 |
| ▸ | MYLK | Q15746 | 3/20 | 0.95 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.95 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.95 |
| ▸ | TSHR | P16473 | 3/20 | 0.95 |
| ▸ | TP53 | P04637 | 2/20 | 0.95 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.95 |
| ▸ | MTOR | P42345 | 1/20 | 0.95 |
| ▸ | RAB9A | P51151 | 1/20 | 0.95 |
| ▸ | LMNA | P02545 | 3/20 | 0.93 |
| ▸ | GMNN | O75496 | 2/20 | 0.93 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.93 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.70 |
| ▸ | MEN1 | O00255 | 4/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.70 |
| ▸ | PRKACA | P17612 | 3/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL29351112 | 0.97 | ROCK1 (1.00) | ROCK1CYP3A4CYP2D6MYLKNFKB1 | |
| SCHEMBL1271163 | 0.97 | ROCK1 (1.00) | ROCK1CYP3A4CYP2D6MYLKNFKB1 | |
| Hydrochloric Acid SCHEMBL3691324 | 0.96 | LMNA (1.00) | ROCK1CYP3A4CYP2D6MYLKNFKB1 | |
| Hydrochloric Acid SCHEMBL30237215 | 0.96 | LMNA (1.00) | ROCK1CYP3A4CYP2D6MYLKNFKB1 | |
| Hydrochloric Acid SCHEMBL29651499 | 0.96 | LMNA (1.00) | ROCK1CYP3A4CYP2D6MYLKNFKB1 | |
| Hydrochloric Acid SCHEMBL1986979 | 0.86 | CYP3A4 (0.95) | ROCK1CYP3A4CYP2D6MYLKNFKB1 | |
| SCHEMBL2869228 | 0.83 | CYP3A4 (1.00) | ROCK1CYP3A4CYP2D6MYLKNFKB1 | |
| Hydroxyfasudil SCHEMBL123699 | 0.82 | ROCK2 (1.00) | ROCK1CYP3A4CYP2D6MYLKNFKB1 | |
| Hydroxyfasudil SCHEMBL29395466 | 0.82 | ROCK2 (1.00) | ROCK1CYP3A4CYP2D6MYLKNFKB1 | |
| Hydrochloric Acid SCHEMBL1848494 | 0.82 | MAPK1 (1.00) | ROCK1CYP3A4CYP2D6MYLKNFKB1 |
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-2346988-A1 | DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE | Centocor Ortho Biotech Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2011079018-A2 | DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS | CENTOCOR ORTHO BIOTECH INC. (US) | 2011-06-30 | — | — | WO | disclosed |
| US-20110151561-A1 | DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS | CENTOCOR ORTHO BIOTECH, INC. | 2011-06-23 | — | — | US | disclosed |