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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8034447 | 0.96 | BRD4 (0.44) | BRD4TRPA1CYP1A2CYP2A6KIF11 | |
| SCHEMBL8034609 | 0.76 | BRD4 (0.45) | BRD4TRPA1CYP1A2CYP2A6MGLL | |
| SCHEMBL6055978 | 0.76 | BRD4 (0.45) | BRD4TRPA1CYP1A2CYP2A6MGLL | |
| Hydrochloric Acid SCHEMBL8036372 | 0.76 | ACHE (0.32) | CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL8040735 | 0.74 | — | — | |
| SCHEMBL8024806 | 0.72 | BRD4 (0.42) | BRD4TRPA1CYP1A2CYP2A6MGLL | |
| SCHEMBL8034453 | 0.72 | BRD4 (0.42) | BRD4TRPA1CYP1A2CYP2A6MGLL | |
| SCHEMBL16216129 | 0.71 | BRD4 (0.44) | BRD4TRPA1CYP1A2CYP2A6MGLL | |
| Bromide SCHEMBL8034586 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL222444 | 0.66 | HTR2A (0.40) | BRD4SLC6A2SLC6A3LMNASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0796875-B1 | Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure | ENICHEM SPA (IT) | 2000-03-29 | — | — | EP | disclosed |
| US-5721327-A | Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure | ENICHEM S.P.A. (IT) | 1998-02-24 | — | — | US | disclosed |
| EP-0796875-A2 | Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure | ENICHEM S.p.A. (IT) | 1997-09-24 | — | — | EP | disclosed |