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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.41 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5577998 | 0.97 | RAB9A (0.50) | RAB9ANPC1MAPTHSD17B1MAPK1 | |
| SCHEMBL5578268 | 0.83 | ALDH1A1 (0.61) | MAPTMAPK1PDE4DHDAC6ALDH1A1 | |
| SCHEMBL7849056 | 0.81 | RAB9A (0.46) | RAB9ANPC1MAPTHSD17B1MAPK1 | |
| SCHEMBL13928814 | 0.80 | NPC1 (0.56) | RAB9ANPC1MAPTHSD17B1HDAC6 | |
| SCHEMBL29793289 | 0.78 | NPC1 (0.67) | RAB9ANPC1MAPTHSD17B1KCNJ1 | |
| SCHEMBL21584068 | 0.78 | NPC1 (0.67) | RAB9ANPC1MAPTHSD17B1KCNJ1 | |
| SCHEMBL3440214 | 0.78 | RAB9A (0.53) | RAB9ANPC1MAPTHSD17B1MAPK1 | |
| SCHEMBL1982216 | 0.76 | RAB9A (0.51) | RAB9ANPC1MAPTHSD17B1MAPK1 | |
| SCHEMBL12039308 | 0.76 | MAOA (0.52) | RAB9ANPC1MAPTHSD17B1MAPK1 | |
| SCHEMBL33121 | 0.75 | ALDH1A1 (0.68) | RAB9ANPC1MAPTHSD17B1KCNJ1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1331010-A1 | PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES | Takeda Chemical Industries, Ltd. (JP) | 2003-07-30 | — | — | EP | disclosed |