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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL482479 | 0.96 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| Hydrochloric Acid SCHEMBL4144361 | 0.94 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| Hydrochloric Acid SCHEMBL6470317 | 0.92 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL11004346 | 0.82 | LMNA (0.40) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL29859251 | 0.81 | LMNA (0.61) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL27735106 | 0.78 | FGFR1 (0.49) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL31515073 | 0.78 | KMT2A (0.49) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL3297943 | 0.78 | KMT2A (0.49) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL31515074 | 0.78 | KMT2A (0.49) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL27871327 | 0.77 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1517908-A2 | NOVEL BENZIMIDAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004002986-A2 | NOVEL BENZIMIDAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-01-08 | — | — | WO | disclosed |