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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5602751 | 0.81 | CYP2A6 (0.38) | CYP2A6KDM4EALDH1A1SMN1; SMN2ACHE | |
| Hydrochloric Acid SCHEMBL5603530 | 0.79 | CYP2A6 (0.37) | CYP2A6KDM4EALDH1A1SMN1; SMN2ACHE | |
| Hydrochloric Acid SCHEMBL5601854 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL5602671 | 0.79 | NOTUM (0.38) | KDM4EALDH1A1SMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL5601045 | 0.78 | CYP2A6 (0.31) | CYP2A6 | |
| Hydrochloric Acid SCHEMBL5603671 | 0.77 | NOTUM (0.41) | KDM4EALDH1A1LMNA | |
| SCHEMBL5603538 | 0.75 | KDM4E (0.33) | CYP2A6KDM4EALDH1A1SMN1; SMN2ACHE | |
| SCHEMBL5602509 | 0.75 | KDM4E (0.33) | CYP2A6KDM4EALDH1A1SMN1; SMN2ACHE | |
| SCHEMBL5602757 | 0.75 | KDM4E (0.33) | CYP2A6KDM4EALDH1A1SMN1; SMN2ACHE | |
| Hydrochloric Acid SCHEMBL5602504 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |