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 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL30451957 | 0.75 | TRPA1 (0.39) | ACHEALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL29725175 | 0.74 | ACHE (0.43) | ACHEALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL971422 | 0.74 | ACHE (0.43) | ACHEALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL29353343 | 0.71 | ALDH1A1 (0.53) | ACHEALDH1A1CYP3A4HPGDTSHR | |
| SCHEMBL588459 | 0.71 | ALDH1A1 (0.53) | ACHEALDH1A1CYP3A4HPGDTSHR | |
| SCHEMBL29178262 | 0.69 | TRPA1 (0.34) | CYP2A6CYP1A2 | |
| SCHEMBL4647758 | 0.69 | CYP1A2 (0.59) | ACHEALDH1A1CYP3A4HPGDTSHR | |
| SCHEMBL31212632 | 0.68 | ACHE (0.37) | ACHEALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL4887318 | 0.67 | ALDH1A1 (0.42) | ACHEALDH1A1CYP3A4HPGDTSHR | |
| Water SCHEMBL27859761 | 0.67 | CYP1A2 (0.48) | ACHEALDH1A1CYP3A4HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-117024434-A | Melon ring host and guest organic photosensitizer as well as preparation method and application thereof | 湖南师范大学 | 2023-11-10 | — | — | CN | disclosed |