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 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5345941 | 1.00 | NPC1 (0.58) | NPC1RAB9AATMTSHRHSP90AA1 | |
| SCHEMBL9517365 | 0.99 | NPC1 (0.56) | NPC1RAB9AATMTSHRHSP90AA1 | |
| SCHEMBL4072904 | 0.94 | NPC1 (0.52) | NPC1RAB9AATMTSHRHSP90AA1 | |
| SCHEMBL23630256 | 0.87 | NPC1 (0.57) | NPC1RAB9AATMTSHRCES2 | |
| Hydrochloric Acid SCHEMBL7787648 | 0.84 | NPC1 (0.56) | NPC1RAB9AATMTSHRCES2 | |
| SCHEMBL3530345 | 0.83 | NPC1 (0.54) | NPC1RAB9AATMTSHRCES2 | |
| Hydrochloric Acid SCHEMBL3529156 | 0.82 | NPC1 (0.53) | NPC1RAB9AATMTSHRCES2 | |
| Hydrochloric Acid SCHEMBL16650533 | 0.79 | ATM (0.64) | NPC1RAB9AATMTSHRHSP90AA1 | |
| Hydrochloric Acid SCHEMBL31173710 | 0.78 | NPC1 (0.65) | NPC1RAB9AATMTSHRHSP90AA1 | |
| Hydrochloric Acid SCHEMBL6131224 | 0.78 | NPC1 (0.65) | NPC1RAB9AATMTSHRHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109836377-B | Nicotinamide adenine dinucleotide analogue and synthetic method and application thereof | 中国科学院大连化学物理研究所 | 2022-04-29 | — | — | CN | claimed |
| EP-4087566-A1 | COMPOUNDS FOR PROMOTING FOLLICLE MATURATION | Aarhus Universitet (DK) | 2022-11-16 | — | — | EP | disclosed |
| CN-114929221-A | Compounds for promoting follicular maturation | 奥胡斯大学 | 2022-08-19 | — | — | CN | disclosed |
| CN-109836377-B | Nicotinamide adenine dinucleotide analogue and synthetic method and application thereof | 中国科学院大连化学物理研究所 | 2022-04-29 | — | — | CN | disclosed |