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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3628526 | 0.96 | ALDH1A1 (0.42) | ALDH1A1NPSR1NPC1MAPTRAB9A | |
| Hydrogen Sulfide SCHEMBL28258698 | 0.94 | ALDH1A1 (0.41) | ALDH1A1NPSR1NPC1MAPTRAB9A | |
| SCHEMBL28165707 | 0.88 | ALDH1A1 (0.38) | ALDH1A1NPSR1NPC1MAPTRAB9A | |
| SCHEMBL7495271 | 0.83 | ALDH1A1 (0.51) | ALDH1A1NPSR1NPC1MAPTRAB9A | |
| SCHEMBL8525111 | 0.82 | ALDH1A1 (0.46) | ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6676668 | 0.78 | TDP1 (0.42) | ALDH1A1NPSR1NPC1MAPTRAB9A | |
| Fluoride SCHEMBL5698487 | 0.76 | TDP1 (0.40) | ALDH1A1NPSR1NPC1MAPTRAB9A | |
| SCHEMBL21915817 | 0.75 | MAPT (0.50) | ALDH1A1NPSR1MAPTCYP2C19RECQL | |
| SCHEMBL11453786 | 0.75 | NPSR1 (0.38) | ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29008293 | 0.74 | TDP1 (0.39) | ALDH1A1NPSR1MAPTSMN1; SMN2CYP2C19 |
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-107011485-A | A kind of three activated centre composite catalyst and the method that cyclic olefine copolymer is prepared using it | 中国石化扬子石油化工有限公司 | 2017-08-04 | — | — | CN | claimed |