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 | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7235313 | 0.92 | ELANE (0.44) | ELANEFYNMEN1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7231951 | 0.89 | FYN (0.46) | ELANEFYNMEN1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7239336 | 0.88 | ELANE (0.46) | ELANEFYNMEN1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7236103 | 0.85 | FYN (0.45) | ELANEFYNMEN1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7235418 | 0.83 | MAPT (0.47) | FYNMEN1NPC1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL7235031 | 0.81 | FYN (0.47) | FYNMEN1NPC1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL7234708 | 0.81 | ALDH1A1 (0.44) | ELANEMEN1NPC1RAB9AKMT2A | |
| Acetic Acid SCHEMBL7236791 | 0.81 | FYN (0.44) | FYNMEN1NPC1RAB9AKMT2A | |
| Acetic Acid SCHEMBL7243225 | 0.81 | ELANE (0.44) | ELANEFYNMEN1NPC1RAB9A | |
| SCHEMBL7768800 | 0.79 | MAPT (0.49) | FYNMEN1NPC1RAB9AKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6541490-B1 | Treating ischemia or reoxygenation injury; preparation from a bipyridine, a benzeneboronic acid and a manganese salt | EUKARION, INC. | 2003-04-01 | — | — | US | disclosed |
| EP-1119573-A2 | BIPYRIDINE MANGANESE COMPLEXES | EUKARION, INC. (US) | 2001-08-01 | — | — | EP | disclosed |
| US-6177419-B1 | ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS | EUKARION, INC. | 2001-01-23 | — | — | US | disclosed |
| WO-2000009512-A2 | BIPYRIDINE MANGANESE COMPLEXES | EUKARION, INC. (US) | 2000-02-24 | — | — | WO | disclosed |