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 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29535212 | 0.95 | CYP3A4 (0.52) | CYP3A4TDP1ACHETSHRKDM4E | |
| SCHEMBL49618 | 0.95 | CYP3A4 (0.52) | CYP3A4TDP1ACHETSHRKDM4E | |
| SCHEMBL16424436 | 0.93 | CYP3A4 (0.50) | CYP3A4TDP1ACHETSHRKDM4E | |
| SCHEMBL49858 | 0.91 | CYP3A4 (0.52) | CYP3A4TDP1ACHETSHRKDM4E | |
| SCHEMBL31532278 | 0.88 | CYP3A4 (0.50) | CYP3A4TDP1ACHETSHRKDM4E | |
| SCHEMBL31531976 | 0.88 | CYP3A4 (0.50) | CYP3A4TDP1ACHETSHRKDM4E | |
| Iodide SCHEMBL30903480 | 0.88 | CYP3A4 (0.50) | CYP3A4TDP1ACHETSHRKDM4E | |
| Hydrochloric Acid SCHEMBL11571801 | 0.88 | CYP3A4 (0.50) | CYP3A4TDP1ACHETSHRKDM4E | |
| Hydrochloric Acid SCHEMBL31198728 | 0.88 | CYP3A4 (0.50) | CYP3A4TDP1ACHETSHRKDM4E | |
| SCHEMBL3717033 | 0.88 | CYP3A4 (0.57) | CYP3A4TDP1ACHETSHRKDM4E |
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-0248951-A2 | Process for producing branched carbonylation products from alpha unsaturated olefins | ATLANTIC RICHFIELD COMPANY (US) | 1987-12-16 | — | — | EP | disclosed |
| US-4612390-A | PHOSPHINE PALLADIUM CATALYST | ATLANTIC RICHFIELD COMPANY (US) | 1986-09-16 | — | — | US | disclosed |