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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 4/20 | 0.51 |
| ▸ | BCHE | P06276 | 6/20 | 0.49 |
| ▸ | F10 | P00742 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.47 |
| ▸ | PTPRC | P08575 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3918100 | 0.97 | CYP4F2 (0.56) | CYP4F2CYP4A11MAOBBCHEF10 | |
| SCHEMBL327570 | 0.86 | CYP4F2 (0.70) | CYP4F2CYP4A11MAOBBCHEFFAR1 | |
| Hydrochloric Acid SCHEMBL6219267 | 0.86 | MAOB (0.54) | CYP4F2CYP4A11MAOBBCHEF10 | |
| SCHEMBL1548932 | 0.84 | F10 (0.62) | CYP4F2CYP4A11MAOBBCHEF10 | |
| SCHEMBL22151428 | 0.83 | LMNA (0.58) | MAOBBCHETP53PKMNFKB1 | |
| SCHEMBL3918721 | 0.82 | MAOB (0.58) | CYP4F2CYP4A11MAOBBCHEF10 | |
| SCHEMBL5708170 | 0.82 | CYP4F2 (0.64) | CYP4F2CYP4A11MAOBBCHEFFAR1 | |
| SCHEMBL3920928 | 0.82 | MRGPRX4 (0.56) | MAOBFFAR1TP53PKMNFKB1 | |
| SCHEMBL15196499 | 0.80 | FFAR1 (0.61) | MAOBBCHEFFAR1 | |
| SCHEMBL28798163 | 0.79 | CYP4F2 (0.56) | CYP4F2CYP4A11MAOBBCHEF10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1706386-A1 | BICYCLIC DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2006-10-04 | — | — | EP | disclosed |
| EP-1585726-A1 | FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-10-19 | — | — | EP | disclosed |
| WO-2005066136-A1 | BICYCLIC DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-07-21 | — | — | WO | disclosed |
| WO-2004063155-A1 | FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-07-29 | — | — | WO | disclosed |